N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine

C17H18N2 — CID 43768662

IUPACN-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine
SMILESCc1cccc(C(C)Nc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C17H18N2/c1-12-4-3-5-14(10-12)13(2)19-16-6-7-17-15(11-16)8-9-18-17/h3-11,13,18-19H,1-2H3
InChIKeyGCAYUOSPGWMZPI-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.65
Rot. Bonds3

About N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine

N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine (PubChem CID 43768662) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine
PubChem CID43768662
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC NameN-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine
SMILESCc1cccc(C(C)Nc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C17H18N2/c1-12-4-3-5-14(10-12)13(2)19-16-6-7-17-15(11-16)8-9-18-17/h3-11,13,18-19H,1-2H3
InChIKeyGCAYUOSPGWMZPI-UHFFFAOYSA-N
XLogP4.65
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine
CID 43093889
N-[1-(4-fluorophenyl)ethyl]-1H-indol-5-amine
CID 43204264
N-(1-thiophen-3-ylethyl)-1H-indol-5-amine
CID 62089795
N-(2-methyl-1-phenylpropyl)-1H-indol-5-amine
CID 43768692
N-[1-(4-propylphenyl)ethyl]-1H-indol-5-amine
CID 43103805
3-N,3-N,4-trimethyl-1-N-[1-(3-methylphenyl)ethyl]benzene-1,3-diamine
CID 115376862
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1H-indol-5-amine
CID 65192008
4-[1-(3-methylphenyl)ethylamino]benzonitrile
CID 43763775
3-chloro-4-methoxy-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758115
N-[1-(3-bromothiophen-2-yl)ethyl]-1H-indol-5-amine
CID 43768700
(1R)-1-(1H-indol-5-yl)-N-methylethanamine
CID 55276552
N-(4-methylphenyl)-1H-indol-5-amine
CID 58867969

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine?
The IUPAC name of N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine (CID 43768662) is N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine.
What is the SMILES notation for N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine?
The canonical SMILES for N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine is Cc1cccc(C(C)Nc2ccc3[nH]ccc3c2)c1.
What is the InChIKey of N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine?
The InChIKey is GCAYUOSPGWMZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-12-4-3-5-14(10-12)13(2)19-16-6-7-17-15(11-16)8-9-18-17/h3-11,13,18-19H,1-2H3.
What are the key properties of N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine?
N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine has a molecular weight of 250.35 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)ethyl]-1H-indol-5-amine is sourced from PubChem (CID 43768662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).