4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline

C22H29N — CID 67733492

IUPAC4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline
SMILESCC1CCC(c2ccc(CCCc3ccc(N)cc3)cc2)CC1
InChIInChI=1S/C22H29N/c1-17-5-11-20(12-6-17)21-13-7-18(8-14-21)3-2-4-19-9-15-22(23)16-10-19/h7-10,13-17,20H,2-6,11-12,23H2,1H3
InChIKeyKNMHWYKSCLOTPG-UHFFFAOYSA-N
MW307.48 g/mol
LogP5.74
Rot. Bonds5

About 4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline

4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline (PubChem CID 67733492) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is 4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline.

Molecular Properties

Compound Name4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline
PubChem CID67733492
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline
SMILESCC1CCC(c2ccc(CCCc3ccc(N)cc3)cc2)CC1
InChIInChI=1S/C22H29N/c1-17-5-11-20(12-6-17)21-13-7-18(8-14-21)3-2-4-19-9-15-22(23)16-10-19/h7-10,13-17,20H,2-6,11-12,23H2,1H3
InChIKeyKNMHWYKSCLOTPG-UHFFFAOYSA-N
XLogP5.74
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 ≤ 55.74
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-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
4-[4-[(4-hexylphenyl)methyl]cyclohexyl]aniline
CID 70180529
4-[4-[(4-heptylphenyl)methyl]cyclohexyl]aniline
CID 70181436
1-(4-methylcyclohexyl)-4-(4-phenylbutyl)benzene;yttrium(3+)
CID 18720895
1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 20579999
4-[[4-[4-[(4-butylphenyl)methyl]cyclohexyl]phenyl]methyl]aniline
CID 70181441
acetylene;1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]benzene
CID 91246286
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)benzene
CID 163396253
4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline
CID 22420603
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
CID 54452595

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline?
The IUPAC name of 4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline (CID 67733492) is 4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline.
What is the SMILES notation for 4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline?
The canonical SMILES for 4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline is CC1CCC(c2ccc(CCCc3ccc(N)cc3)cc2)CC1.
What is the InChIKey of 4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline?
The InChIKey is KNMHWYKSCLOTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N/c1-17-5-11-20(12-6-17)21-13-7-18(8-14-21)3-2-4-19-9-15-22(23)16-10-19/h7-10,13-17,20H,2-6,11-12,23H2,1H3.
What are the key properties of 4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline?
4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline has a molecular weight of 307.48 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-methylcyclohexyl)phenyl]propyl]aniline is sourced from PubChem (CID 67733492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).