N-butyl-4-(2-methylphenyl)-N-[(Z)-prop-1-enyl]aniline

C20H25N — CID 166904556

IUPACN-butyl-4-(2-methylphenyl)-N-[(Z)-prop-1-enyl]aniline
SMILESC/C=C\N(CCCC)c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C20H25N/c1-4-6-16-21(15-5-2)19-13-11-18(12-14-19)20-10-8-7-9-17(20)3/h5,7-15H,4,6,16H2,1-3H3/b15-5-
InChIKeyAEBHECVJLMNQRJ-WCSRMQSCSA-N
MW279.43 g/mol
LogP5.80
Rot. Bonds6

About N-butyl-4-(2-methylphenyl)-N-[(Z)-prop-1-enyl]aniline

N-butyl-4-(2-methylphenyl)-N-[(Z)-prop-1-enyl]aniline (PubChem CID 166904556) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-butyl-4-(2-methylphenyl)-N-[(Z)-prop-1-enyl]aniline.

Molecular Properties

Compound NameN-butyl-4-(2-methylphenyl)-N-[(Z)-prop-1-enyl]aniline
PubChem CID166904556
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-butyl-4-(2-methylphenyl)-N-[(Z)-prop-1-enyl]aniline
SMILESC/C=C\N(CCCC)c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C20H25N/c1-4-6-16-21(15-5-2)19-13-11-18(12-14-19)20-10-8-7-9-17(20)3/h5,7-15H,4,6,16H2,1-3H3/b15-5-
InChIKeyAEBHECVJLMNQRJ-WCSRMQSCSA-N
XLogP5.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2-methylphenyl)-N-[(Z)-prop-1-enyl]aniline?
The IUPAC name of N-butyl-4-(2-methylphenyl)-N-[(Z)-prop-1-enyl]aniline (CID 166904556) is N-butyl-4-(2-methylphenyl)-N-[(Z)-prop-1-enyl]aniline.
What is the SMILES notation for N-butyl-4-(2-methylphenyl)-N-[(Z)-prop-1-enyl]aniline?
The canonical SMILES for N-butyl-4-(2-methylphenyl)-N-[(Z)-prop-1-enyl]aniline is C/C=C\N(CCCC)c1ccc(-c2ccccc2C)cc1.
What is the InChIKey of N-butyl-4-(2-methylphenyl)-N-[(Z)-prop-1-enyl]aniline?
The InChIKey is AEBHECVJLMNQRJ-WCSRMQSCSA-N. The full InChI is InChI=1S/C20H25N/c1-4-6-16-21(15-5-2)19-13-11-18(12-14-19)20-10-8-7-9-17(20)3/h5,7-15H,4,6,16H2,1-3H3/b15-5-.
What are the key properties of N-butyl-4-(2-methylphenyl)-N-[(Z)-prop-1-enyl]aniline?
N-butyl-4-(2-methylphenyl)-N-[(Z)-prop-1-enyl]aniline has a molecular weight of 279.43 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-methylphenyl)-N-[(Z)-prop-1-enyl]aniline is sourced from PubChem (CID 166904556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).