N-[cyclohex-2-en-1-yl(phenyl)methyl]aniline

C19H21N — CID 177462133

IUPACN-[cyclohex-2-en-1-yl(phenyl)methyl]aniline
SMILESC1=CC(C(Nc2ccccc2)c2ccccc2)CCC1
InChIInChI=1S/C19H21N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-18-14-8-3-9-15-18/h1,3-6,8-12,14-15,17,19-20H,2,7,13H2
InChIKeyIRISSTAPARJLKR-UHFFFAOYSA-N
MW263.38 g/mol
LogP5.20
Rot. Bonds4

About N-[cyclohex-2-en-1-yl(phenyl)methyl]aniline

N-[cyclohex-2-en-1-yl(phenyl)methyl]aniline (PubChem CID 177462133) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[cyclohex-2-en-1-yl(phenyl)methyl]aniline.

Molecular Properties

Compound NameN-[cyclohex-2-en-1-yl(phenyl)methyl]aniline
PubChem CID177462133
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC NameN-[cyclohex-2-en-1-yl(phenyl)methyl]aniline
SMILESC1=CC(C(Nc2ccccc2)c2ccccc2)CCC1
InChIInChI=1S/C19H21N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-18-14-8-3-9-15-18/h1,3-6,8-12,14-15,17,19-20H,2,7,13H2
InChIKeyIRISSTAPARJLKR-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[cyclohex-2-en-1-yl(phenyl)methyl]-2-methylpropanethioamide
CID 10901776
(S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol
CID 7057143
cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene
CID 145163043
(2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one
CID 948246
(2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one
CID 101375640
N-(1-phenylethyl)cyclohex-2-en-1-amine
CID 103846518
(S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol
CID 129405457
4-bromo-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422798
4-[[cyclopropyl(phenyl)methyl]amino]phenol
CID 61313766
(E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol
CID 11413243
(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol
CID 101047388
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408

Frequently Asked Questions

What is the IUPAC name of N-[cyclohex-2-en-1-yl(phenyl)methyl]aniline?
The IUPAC name of N-[cyclohex-2-en-1-yl(phenyl)methyl]aniline (CID 177462133) is N-[cyclohex-2-en-1-yl(phenyl)methyl]aniline.
What is the SMILES notation for N-[cyclohex-2-en-1-yl(phenyl)methyl]aniline?
The canonical SMILES for N-[cyclohex-2-en-1-yl(phenyl)methyl]aniline is C1=CC(C(Nc2ccccc2)c2ccccc2)CCC1.
What is the InChIKey of N-[cyclohex-2-en-1-yl(phenyl)methyl]aniline?
The InChIKey is IRISSTAPARJLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)20-18-14-8-3-9-15-18/h1,3-6,8-12,14-15,17,19-20H,2,7,13H2.
What are the key properties of N-[cyclohex-2-en-1-yl(phenyl)methyl]aniline?
N-[cyclohex-2-en-1-yl(phenyl)methyl]aniline has a molecular weight of 263.38 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohex-2-en-1-yl(phenyl)methyl]aniline is sourced from PubChem (CID 177462133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).