N-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

C24H29ClN2O — CID 10475893

IUPACN-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C24H29ClN2O/c1-2-13-27(14-4-15-28-21-6-3-5-19(25)16-21)20-9-7-18-8-10-24-22(11-12-26-24)23(18)17-20/h3,5-6,8,10-12,16,20,26H,2,4,7,9,13-15,17H2,1H3
InChIKeyINAFJGHXLCGHAU-UHFFFAOYSA-N
MW396.96 g/mol
LogP5.86
Rot. Bonds8

About N-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

N-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (PubChem CID 10475893) has the molecular formula C24H29ClN2O and a molecular weight of 396.96 g/mol. Its IUPAC name is N-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.

Molecular Properties

Compound NameN-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
PubChem CID10475893
Molecular FormulaC24H29ClN2O
Molecular Weight396.96 g/mol
Exact Mass396.20
IUPAC NameN-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
SMILESCCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]ccc3c2C1
InChIInChI=1S/C24H29ClN2O/c1-2-13-27(14-4-15-28-21-6-3-5-19(25)16-21)20-9-7-18-8-10-24-22(11-12-26-24)23(18)17-20/h3,5-6,8,10-12,16,20,26H,2,4,7,9,13-15,17H2,1H3
InChIKeyINAFJGHXLCGHAU-UHFFFAOYSA-N
XLogP5.86
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.96
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine with MolForge

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Related Compounds

{[2-chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl)[3-(1H-indol-5-yloxy)propyl]amine
CID 25190756
8-{[3-(3-Chloro-phenoxy)-propyl]-propyl-amino}-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde
CID 10432512
[3-(1H-Indol-3-yl)-propyl]-[2-(naphthalen-1-yloxy)-ethyl]-amine
CID 9862968
[3-(2-Methoxy-phenyl)-propyl]-propyl-(6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl)-amine
CID 11740280
N-((7-chloro-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methyl)-2-(5-fluoro-1H-indol-3-yl)ethanamine
CID 44408853
(2S)-4-[(5-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine
CID 127031830
(2S)-4-(1H-indol-5-ylmethyl)-2-(phenoxymethyl)morpholine
CID 127032383
(2S)-4-[(6-chloro-1H-indol-3-yl)methyl]-2-(phenoxymethyl)morpholine
CID 127032384
(E)-N-(1H-indol-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 137638222
(E)-3-(4-ethoxyphenyl)-N-(1H-indol-7-ylmethyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 137659964
3-[(4-chlorophenoxy)methyl]-N-[(1-methylindol-5-yl)methyl]azetidine-1-carboxamide
CID 164615851
2-[5-(naphthalen-2-ylmethoxy)-1H-indol-3-yl]ethanamine;hydrochloride
CID 70051222

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The IUPAC name of N-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine (CID 10475893) is N-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine.
What is the SMILES notation for N-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The canonical SMILES for N-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is CCCN(CCCOc1cccc(Cl)c1)C1CCc2ccc3[nH]ccc3c2C1.
What is the InChIKey of N-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
The InChIKey is INAFJGHXLCGHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O/c1-2-13-27(14-4-15-28-21-6-3-5-19(25)16-21)20-9-7-18-8-10-24-22(11-12-26-24)23(18)17-20/h3,5-6,8,10-12,16,20,26H,2,4,7,9,13-15,17H2,1H3.
What are the key properties of N-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine?
N-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine has a molecular weight of 396.96 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenoxy)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine is sourced from PubChem (CID 10475893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).