1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine

C22H35NO — CID 126539512

IUPAC1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine
SMILESCCC(N)C1CCC(C2CCC(c3ccc(OC)cc3)CC2)CC1
InChIInChI=1S/C22H35NO/c1-3-22(23)20-10-8-18(9-11-20)16-4-6-17(7-5-16)19-12-14-21(24-2)15-13-19/h12-18,20,22H,3-11,23H2,1-2H3
InChIKeyNYPONWOLEOYOGA-UHFFFAOYSA-N
MW329.53 g/mol
LogP5.51
Rot. Bonds5

About 1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine

1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine (PubChem CID 126539512) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is 1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine
PubChem CID126539512
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine
SMILESCCC(N)C1CCC(C2CCC(c3ccc(OC)cc3)CC2)CC1
InChIInChI=1S/C22H35NO/c1-3-22(23)20-10-8-18(9-11-20)16-4-6-17(7-5-16)19-12-14-21(24-2)15-13-19/h12-18,20,22H,3-11,23H2,1-2H3
InChIKeyNYPONWOLEOYOGA-UHFFFAOYSA-N
XLogP5.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-methoxyphenyl)cyclohexyl]propan-1-amine
CID 126586754
1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine
CID 143707745
1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine
CID 154558214
1-[4-[4-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-amine
CID 143707742
[4-(4-methoxyphenyl)cyclohexyl]-phenylmethanamine
CID 24738284
5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde
CID 163427702
1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine
CID 126539680
1-cyclopropyl-3-(4-methoxyphenoxy)propan-1-amine
CID 112501445
(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methoxybenzene;1-methoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 144714458
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
2-cyclohexyl-2-[4-(4-methoxyphenyl)cyclohexyl]acetamide
CID 142798976

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine?
The IUPAC name of 1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine (CID 126539512) is 1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine.
What is the SMILES notation for 1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine?
The canonical SMILES for 1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine is CCC(N)C1CCC(C2CCC(c3ccc(OC)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine?
The InChIKey is NYPONWOLEOYOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO/c1-3-22(23)20-10-8-18(9-11-20)16-4-6-17(7-5-16)19-12-14-21(24-2)15-13-19/h12-18,20,22H,3-11,23H2,1-2H3.
What are the key properties of 1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine?
1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine has a molecular weight of 329.53 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine is sourced from PubChem (CID 126539512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).