2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile

C19H22N2 — CID 43722122

IUPAC2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile
SMILESCc1cc(C)c(C(C)Nc2ccc(CC#N)cc2)cc1C
InChIInChI=1S/C19H22N2/c1-13-11-15(3)19(12-14(13)2)16(4)21-18-7-5-17(6-8-18)9-10-20/h5-8,11-12,16,21H,9H2,1-4H3
InChIKeyCPMAGTUOXYHOTF-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.85
Rot. Bonds4

About 2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile

2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile (PubChem CID 43722122) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile
PubChem CID43722122
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile
SMILESCc1cc(C)c(C(C)Nc2ccc(CC#N)cc2)cc1C
InChIInChI=1S/C19H22N2/c1-13-11-15(3)19(12-14(13)2)16(4)21-18-7-5-17(6-8-18)9-10-20/h5-8,11-12,16,21H,9H2,1-4H3
InChIKeyCPMAGTUOXYHOTF-UHFFFAOYSA-N
XLogP4.85
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propyl-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43099731
2-[4-[1-(2-hydroxy-5-methylphenyl)ethylamino]phenyl]acetonitrile
CID 43722347
2-[4-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]phenyl]acetonitrile
CID 43786451
2-[4-(1-pyridin-4-ylethylamino)phenyl]acetonitrile
CID 43722275
2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile
CID 43722297
2-[4-(3-methylbutan-2-ylamino)phenyl]acetonitrile
CID 43722269
2-[4-[1-(4-bromophenyl)ethylamino]phenyl]acetonitrile
CID 43722207
2-[4-[1-(4-chlorophenyl)ethylamino]phenyl]acetonitrile
CID 43722208
2-[4-(cyanomethyl)anilino]-N-(3,4-dimethylphenyl)propanamide
CID 86919171
2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile
CID 102868708
1-[4-(cyanomethyl)phenyl]-3-[1-(2,5-dimethylphenyl)ethyl]thiourea
CID 133154409
1-[4-(cyanomethyl)phenyl]-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]thiourea
CID 100729537

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile (CID 43722122) is 2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile is Cc1cc(C)c(C(C)Nc2ccc(CC#N)cc2)cc1C.
What is the InChIKey of 2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile?
The InChIKey is CPMAGTUOXYHOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-13-11-15(3)19(12-14(13)2)16(4)21-18-7-5-17(6-8-18)9-10-20/h5-8,11-12,16,21H,9H2,1-4H3.
What are the key properties of 2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile?
2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile has a molecular weight of 278.40 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,4,5-trimethylphenyl)ethylamino]phenyl]acetonitrile is sourced from PubChem (CID 43722122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).