(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine

C16H21N3 — CID 81375145

IUPAC(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@H](C)NCc1cncn1C1CC1
InChIInChI=1S/C16H21N3/c1-12-5-3-4-6-16(12)13(2)18-10-15-9-17-11-19(15)14-7-8-14/h3-6,9,11,13-14,18H,7-8,10H2,1-2H3/t13-/m0/s1
InChIKeyWQDYVSDHTMWAPD-ZDUSSCGKSA-N
MW255.37 g/mol
LogP3.38
Rot. Bonds5

About (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine

(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 81375145) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID81375145
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1[C@H](C)NCc1cncn1C1CC1
InChIInChI=1S/C16H21N3/c1-12-5-3-4-6-16(12)13(2)18-10-15-9-17-11-19(15)14-7-8-14/h3-6,9,11,13-14,18H,7-8,10H2,1-2H3/t13-/m0/s1
InChIKeyWQDYVSDHTMWAPD-ZDUSSCGKSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 66163741
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 66140201
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405662
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 66162293
(1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 81351919
1-(1H-benzimidazol-2-yl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 66141196
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81370569
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 66140209
1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine
CID 66152900
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 66141611
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 66162308
3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 66141599

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine (CID 81375145) is (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1[C@H](C)NCc1cncn1C1CC1.
What is the InChIKey of (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is WQDYVSDHTMWAPD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-5-3-4-6-16(12)13(2)18-10-15-9-17-11-19(15)14-7-8-14/h3-6,9,11,13-14,18H,7-8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine?
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 255.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 81375145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).