(1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine

C15H21N3 — CID 81357198

IUPAC(1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NC(C)c2nccn2C)cc1
InChIInChI=1S/C15H21N3/c1-11-5-7-14(8-6-11)12(2)17-13(3)15-16-9-10-18(15)4/h5-10,12-13,17H,1-4H3/t12-,13?/m0/s1
InChIKeyBPXVZSRJXZQUAH-UEWDXFNNSA-N
MW243.35 g/mol
LogP3.14
Rot. Bonds4

About (1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine

(1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine (PubChem CID 81357198) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
PubChem CID81357198
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](C)NC(C)c2nccn2C)cc1
InChIInChI=1S/C15H21N3/c1-11-5-7-14(8-6-11)12(2)17-13(3)15-16-9-10-18(15)4/h5-10,12-13,17H,1-4H3/t12-,13?/m0/s1
InChIKeyBPXVZSRJXZQUAH-UEWDXFNNSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81404141
N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 110429323
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-en-2-amine
CID 115901331
(2R)-N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]propanamide
CID 103914492
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
CID 162341662
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 112551903
4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide
CID 110429568
N-[1-(1-methylimidazol-2-yl)ethyl]octan-4-amine
CID 103914355
(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81349237
3-bromo-2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]aniline
CID 103936018

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine (CID 81357198) is (1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine is Cc1ccc([C@H](C)NC(C)c2nccn2C)cc1.
What is the InChIKey of (1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is BPXVZSRJXZQUAH-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-5-7-14(8-6-11)12(2)17-13(3)15-16-9-10-18(15)4/h5-10,12-13,17H,1-4H3/t12-,13?/m0/s1.
What are the key properties of (1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine?
(1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81357198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).