4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile

C18H20N2 — CID 81373534

IUPAC4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile
SMILESCc1ccccc1[C@@H](C)NC(C)c1ccc(C#N)cc1
InChIInChI=1S/C18H20N2/c1-13-6-4-5-7-18(13)15(3)20-14(2)17-10-8-16(12-19)9-11-17/h4-11,14-15,20H,1-3H3/t14?,15-/m1/s1
InChIKeyAFJNXLVVQQYSLQ-YSSOQSIOSA-N
MW264.37 g/mol
LogP4.28
Rot. Bonds4

About 4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile

4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile (PubChem CID 81373534) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile
PubChem CID81373534
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile
SMILESCc1ccccc1[C@@H](C)NC(C)c1ccc(C#N)cc1
InChIInChI=1S/C18H20N2/c1-13-6-4-5-7-18(13)15(3)20-14(2)17-10-8-16(12-19)9-11-17/h4-11,14-15,20H,1-3H3/t14?,15-/m1/s1
InChIKeyAFJNXLVVQQYSLQ-YSSOQSIOSA-N
XLogP4.28
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[1-(2-chlorophenyl)ethylamino]ethyl]benzonitrile
CID 43202684
1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81373795
4-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 28652871
4-[1-(propan-2-ylamino)ethyl]benzonitrile
CID 43190054
4-[1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81353264
4-[1-[[(1S)-1-(4-bromophenyl)ethyl]amino]ethyl]benzonitrile
CID 81359050
5-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzene-1,3-diol
CID 107706906
4-[1-[1-(5-methylfuran-2-yl)ethylamino]ethyl]benzonitrile
CID 43684987
4-[1-[1-(2,4-dibromophenyl)ethylamino]ethyl]benzonitrile
CID 60781809
4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81407237
(1S)-1-(6-chloro-3-pyridinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]ethanamine
CID 97246942
4-[1-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethyl]benzonitrile
CID 81365102

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile (CID 81373534) is 4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile is Cc1ccccc1[C@@H](C)NC(C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile?
The InChIKey is AFJNXLVVQQYSLQ-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-6-4-5-7-18(13)15(3)20-14(2)17-10-8-16(12-19)9-11-17/h4-11,14-15,20H,1-3H3/t14?,15-/m1/s1.
What are the key properties of 4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile?
4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile has a molecular weight of 264.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethyl]benzonitrile is sourced from PubChem (CID 81373534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).