[4-(indol-1-ylmethyl)phenyl]methanamine

C16H16N2 — CID 43134818

IUPAC[4-(indol-1-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(Cn2ccc3ccccc32)cc1
InChIInChI=1S/C16H16N2/c17-11-13-5-7-14(8-6-13)12-18-10-9-15-3-1-2-4-16(15)18/h1-10H,11-12,17H2
InChIKeyRSTKAQDYFUJZQK-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.15
Rot. Bonds3

About [4-(indol-1-ylmethyl)phenyl]methanamine

[4-(indol-1-ylmethyl)phenyl]methanamine (PubChem CID 43134818) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is [4-(indol-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(indol-1-ylmethyl)phenyl]methanamine
PubChem CID43134818
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name[4-(indol-1-ylmethyl)phenyl]methanamine
SMILESNCc1ccc(Cn2ccc3ccccc32)cc1
InChIInChI=1S/C16H16N2/c17-11-13-5-7-14(8-6-13)12-18-10-9-15-3-1-2-4-16(15)18/h1-10H,11-12,17H2
InChIKeyRSTKAQDYFUJZQK-UHFFFAOYSA-N
XLogP3.15
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-methylpyridin-1-ium-4-yl)methyl]indole
CID 71418458
1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide
CID 171342626
2-(indol-1-ylmethyl)benzene-1,3-diamine
CID 141087878
1-[(3-bromophenyl)methyl]indole
CID 22256844
[4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine
CID 83968569
2-[[4-[4-(indol-1-ylmethyl)phenyl]phenyl]methyl]isoindole-1,3-dione
CID 139959456
1-[(2,6-difluorophenyl)methyl]indole
CID 22256904
3-indol-1-ylpropan-1-amine
CID 2512786
1-[[3,5-bis(indol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]indole
CID 102177432
1-(2-fluoroethyl)indole
CID 80694500
1-(pyrimidin-2-ylmethyl)indole
CID 63810960
1-[(1-methylpyrazol-4-yl)methyl]indole
CID 55238822

Frequently Asked Questions

What is the IUPAC name of [4-(indol-1-ylmethyl)phenyl]methanamine?
The IUPAC name of [4-(indol-1-ylmethyl)phenyl]methanamine (CID 43134818) is [4-(indol-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-(indol-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for [4-(indol-1-ylmethyl)phenyl]methanamine is NCc1ccc(Cn2ccc3ccccc32)cc1.
What is the InChIKey of [4-(indol-1-ylmethyl)phenyl]methanamine?
The InChIKey is RSTKAQDYFUJZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c17-11-13-5-7-14(8-6-13)12-18-10-9-15-3-1-2-4-16(15)18/h1-10H,11-12,17H2.
What are the key properties of [4-(indol-1-ylmethyl)phenyl]methanamine?
[4-(indol-1-ylmethyl)phenyl]methanamine has a molecular weight of 236.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(indol-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 43134818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).