N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine

C20H18N2 — CID 70211742

IUPACN-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine
SMILESc1ccc2cc(CNCc3c[nH]c4ccccc34)ccc2c1
InChIInChI=1S/C20H18N2/c1-2-6-17-11-15(9-10-16(17)5-1)12-21-13-18-14-22-20-8-4-3-7-19(18)20/h1-11,14,21-22H,12-13H2
InChIKeyCDRASGKIMZSHAF-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.61
Rot. Bonds4

About N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine

N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine (PubChem CID 70211742) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine
PubChem CID70211742
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC NameN-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine
SMILESc1ccc2cc(CNCc3c[nH]c4ccccc34)ccc2c1
InChIInChI=1S/C20H18N2/c1-2-6-17-11-15(9-10-16(17)5-1)12-21-13-18-14-22-20-8-4-3-7-19(18)20/h1-11,14,21-22H,12-13H2
InChIKeyCDRASGKIMZSHAF-UHFFFAOYSA-N
XLogP4.61
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1H-indol-3-ylmethylamino)methanol
CID 115228988
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 19626513
4-[(quinolin-7-ylmethylamino)methyl]-2H-isoquinolin-1-one
CID 166361094
3-chloro-N-(1H-indol-3-ylmethyl)propan-1-amine
CID 115215625
N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
CID 31828968
N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine
CID 60663580
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
2-(1H-indol-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 40810685
1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 106391408
N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 62325414
(naphthalen-2-ylmethylamino)methanethiol
CID 115228012

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine (CID 70211742) is N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine is c1ccc2cc(CNCc3c[nH]c4ccccc34)ccc2c1.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine?
The InChIKey is CDRASGKIMZSHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c1-2-6-17-11-15(9-10-16(17)5-1)12-21-13-18-14-22-20-8-4-3-7-19(18)20/h1-11,14,21-22H,12-13H2.
What are the key properties of N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine?
N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine has a molecular weight of 286.38 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-1-naphthalen-2-ylmethanamine is sourced from PubChem (CID 70211742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).