N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine

C18H20N2O — CID 102910510

IUPACN-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine
SMILESCc1cccc(OCCNCc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C18H20N2O/c1-14-3-2-4-17(11-14)21-10-9-19-13-15-5-6-18-16(12-15)7-8-20-18/h2-8,11-12,19-20H,9-10,13H2,1H3
InChIKeyBIXMUSWGNFZFTF-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.64
Rot. Bonds6

About N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine

N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine (PubChem CID 102910510) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine
PubChem CID102910510
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine
SMILESCc1cccc(OCCNCc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C18H20N2O/c1-14-3-2-4-17(11-14)21-10-9-19-13-15-5-6-18-16(12-15)7-8-20-18/h2-8,11-12,19-20H,9-10,13H2,1H3
InChIKeyBIXMUSWGNFZFTF-UHFFFAOYSA-N
XLogP3.64
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-2-(3-methylphenoxy)ethanamine
CID 106816722
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine
CID 17221716
N-(1H-indol-5-ylmethyl)-2-propan-2-yloxyethanamine
CID 102911874
N-(1H-indol-5-ylmethyl)-2-(2-methylpropoxy)ethanamine
CID 102912150
2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine
CID 39360189
1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine
CID 102909966
2,6-difluoro-4-[[2-(3-methylphenoxy)ethylamino]methyl]phenol
CID 79831957
1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 102910851
N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methylphenoxy)ethanamine
CID 112582261
N-[2-(3-methylphenoxy)ethyl]heptan-1-amine
CID 54797484
2-(3-methylphenoxy)-N-[(2-methyltetrazol-5-yl)methyl]ethanamine
CID 107042297
3-(furan-2-ylmethoxy)-N-(1H-indol-5-ylmethyl)propan-1-amine
CID 102909348

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine (CID 102910510) is N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine is Cc1cccc(OCCNCc2ccc3[nH]ccc3c2)c1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine?
The InChIKey is BIXMUSWGNFZFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-3-2-4-17(11-14)21-10-9-19-13-15-5-6-18-16(12-15)7-8-20-18/h2-8,11-12,19-20H,9-10,13H2,1H3.
What are the key properties of N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine?
N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-2-(3-methylphenoxy)ethanamine is sourced from PubChem (CID 102910510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).