N-[(4-ethylphenyl)methyl]-1H-indol-5-amine

C17H18N2 — CID 28546654

IUPACN-[(4-ethylphenyl)methyl]-1H-indol-5-amine
SMILESCCc1ccc(CNc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C17H18N2/c1-2-13-3-5-14(6-4-13)12-19-16-7-8-17-15(11-16)9-10-18-17/h3-11,18-19H,2,12H2,1H3
InChIKeyCVKNEZZSWUTDEN-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.34
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-1H-indol-5-amine

N-[(4-ethylphenyl)methyl]-1H-indol-5-amine (PubChem CID 28546654) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1H-indol-5-amine
PubChem CID28546654
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC NameN-[(4-ethylphenyl)methyl]-1H-indol-5-amine
SMILESCCc1ccc(CNc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C17H18N2/c1-2-13-3-5-14(6-4-13)12-19-16-7-8-17-15(11-16)9-10-18-17/h3-11,18-19H,2,12H2,1H3
InChIKeyCVKNEZZSWUTDEN-UHFFFAOYSA-N
XLogP4.34
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine
CID 82538568
4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide
CID 60985220
N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine
CID 62758577
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol
CID 79886052
N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
CID 17221817
2-chloro-4-(1H-indol-5-ylmethylamino)phenol
CID 107678050
N-(1H-indol-5-ylmethyl)quinoxalin-6-amine
CID 102910076
4-bromo-3-chloro-N-(1H-indol-5-ylmethyl)aniline
CID 107619194
3-chloro-N-(1H-indol-5-ylmethyl)-4-methoxyaniline
CID 102909165

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1H-indol-5-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1H-indol-5-amine (CID 28546654) is N-[(4-ethylphenyl)methyl]-1H-indol-5-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1H-indol-5-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1H-indol-5-amine is CCc1ccc(CNc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1H-indol-5-amine?
The InChIKey is CVKNEZZSWUTDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-2-13-3-5-14(6-4-13)12-19-16-7-8-17-15(11-16)9-10-18-17/h3-11,18-19H,2,12H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-1H-indol-5-amine?
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine has a molecular weight of 250.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1H-indol-5-amine is sourced from PubChem (CID 28546654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).