4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline

C22H29N — CID 22420603

IUPAC4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline
SMILESCCCC1CCC(c2ccc(Cc3ccc(N)cc3)cc2)CC1
InChIInChI=1S/C22H29N/c1-2-3-17-4-10-20(11-5-17)21-12-6-18(7-13-21)16-19-8-14-22(23)15-9-19/h6-9,12-15,17,20H,2-5,10-11,16,23H2,1H3
InChIKeyKVQNSBWWIRWFAO-UHFFFAOYSA-N
MW307.48 g/mol
LogP5.93
Rot. Bonds5

About 4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline

4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline (PubChem CID 22420603) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is 4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline
PubChem CID22420603
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline
SMILESCCCC1CCC(c2ccc(Cc3ccc(N)cc3)cc2)CC1
InChIInChI=1S/C22H29N/c1-2-3-17-4-10-20(11-5-17)21-12-6-18(7-13-21)16-19-8-14-22(23)15-9-19/h6-9,12-15,17,20H,2-5,10-11,16,23H2,1H3
InChIKeyKVQNSBWWIRWFAO-UHFFFAOYSA-N
XLogP5.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728
4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline
CID 70181441
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene
CID 71773137
carbamic acid;1-ethyl-4-(4-propylcyclohexyl)benzene
CID 70401958
4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline
CID 70180506
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
(4-propylcyclohexyl)benzene
CID 155887669
4-(4-propylcyclohexyl)benzaldehyde
CID 14573359
1-ethyl-4-[2-[4-(4-propylcyclohexyl)phenyl]ethenyl]benzene
CID 141224926
1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene
CID 139748650
4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline
CID 70181620

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline?
The IUPAC name of 4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline (CID 22420603) is 4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline.
What is the SMILES notation for 4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline?
The canonical SMILES for 4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline is CCCC1CCC(c2ccc(Cc3ccc(N)cc3)cc2)CC1.
What is the InChIKey of 4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline?
The InChIKey is KVQNSBWWIRWFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N/c1-2-3-17-4-10-20(11-5-17)21-12-6-18(7-13-21)16-19-8-14-22(23)15-9-19/h6-9,12-15,17,20H,2-5,10-11,16,23H2,1H3.
What are the key properties of 4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline?
4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline has a molecular weight of 307.48 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline is sourced from PubChem (CID 22420603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).