2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile

C14H18N2 — CID 64919481

IUPAC2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile
SMILESCCC(Nc1ccc(CC#N)cc1)C1CC1
InChIInChI=1S/C14H18N2/c1-2-14(12-5-6-12)16-13-7-3-11(4-8-13)9-10-15/h3-4,7-8,12,14,16H,2,5-6,9H2,1H3
InChIKeyROTFEIMTJXEQEZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.35
Rot. Bonds5

About 2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile

2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile (PubChem CID 64919481) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile
PubChem CID64919481
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile
SMILESCCC(Nc1ccc(CC#N)cc1)C1CC1
InChIInChI=1S/C14H18N2/c1-2-14(12-5-6-12)16-13-7-3-11(4-8-13)9-10-15/h3-4,7-8,12,14,16H,2,5-6,9H2,1H3
InChIKeyROTFEIMTJXEQEZ-UHFFFAOYSA-N
XLogP3.35
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylpropyl)-4-fluoroaniline
CID 64918794
4-(1-cyclopropylpropylamino)phenol
CID 64918837
2-[4-(cyanomethyl)anilino]butanenitrile
CID 62303541
N-(1-cyclopropylpropyl)aniline;hydrochloride
CID 174269039
2-[4-(heptan-3-ylamino)phenyl]acetonitrile
CID 63944926
3-(1-cyclopropylpropylamino)benzonitrile
CID 64918582
2-[4-(3-methylbutan-2-ylamino)phenyl]acetonitrile
CID 43722269
N-(1-cyclopropylpropyl)-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 64917969
2-[4-(1-cyclopropylbutylamino)phenoxy]acetonitrile
CID 113354006
2-[4-(1,1-difluoropropan-2-ylamino)phenyl]acetonitrile
CID 102868708
N-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline
CID 64918421
2-[4-(hexan-2-ylamino)phenyl]acetonitrile
CID 43786419

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile?
The IUPAC name of 2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile (CID 64919481) is 2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile is CCC(Nc1ccc(CC#N)cc1)C1CC1.
What is the InChIKey of 2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile?
The InChIKey is ROTFEIMTJXEQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-14(12-5-6-12)16-13-7-3-11(4-8-13)9-10-15/h3-4,7-8,12,14,16H,2,5-6,9H2,1H3.
What are the key properties of 2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile?
2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclopropylpropylamino)phenyl]acetonitrile is sourced from PubChem (CID 64919481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).