N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine

C18H21ClN2 — CID 29275975

IUPACN-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine
SMILESClc1ccc(CNCCCN2CCc3ccccc32)cc1
InChIInChI=1S/C18H21ClN2/c19-17-8-6-15(7-9-17)14-20-11-3-12-21-13-10-16-4-1-2-5-18(16)21/h1-2,4-9,20H,3,10-14H2
InChIKeyVVFZGHZYZFFZKW-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.88
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine

N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine (PubChem CID 29275975) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine
PubChem CID29275975
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine
SMILESClc1ccc(CNCCCN2CCc3ccccc32)cc1
InChIInChI=1S/C18H21ClN2/c19-17-8-6-15(7-9-17)14-20-11-3-12-21-13-10-16-4-1-2-5-18(16)21/h1-2,4-9,20H,3,10-14H2
InChIKeyVVFZGHZYZFFZKW-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43208035
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
N-[(5-bromothiophen-2-yl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine
CID 43100076
3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 29033925
3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654337
3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43645009
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490
1-[3-(2,3-dihydroindol-1-yl)propyl]-3-phenylthiourea
CID 100678118
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenylethanamine
CID 54806649
1-butyl-2,3-dihydroindole
CID 4167209

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine (CID 29275975) is N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine is Clc1ccc(CNCCCN2CCc3ccccc32)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine?
The InChIKey is VVFZGHZYZFFZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c19-17-8-6-15(7-9-17)14-20-11-3-12-21-13-10-16-4-1-2-5-18(16)21/h1-2,4-9,20H,3,10-14H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine?
N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine has a molecular weight of 300.83 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine is sourced from PubChem (CID 29275975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).