1-(4-propoxyphenyl)cyclohexane-1,4-diamine

C15H24N2O — CID 175562161

IUPAC1-(4-propoxyphenyl)cyclohexane-1,4-diamine
SMILESCCCOc1ccc(C2(N)CCC(N)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-2-11-18-14-5-3-12(4-6-14)15(17)9-7-13(16)8-10-15/h3-6,13H,2,7-11,16-17H2,1H3
InChIKeySGMOXLRBGINIIH-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.53
Rot. Bonds4

About 1-(4-propoxyphenyl)cyclohexane-1,4-diamine

1-(4-propoxyphenyl)cyclohexane-1,4-diamine (PubChem CID 175562161) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-propoxyphenyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-(4-propoxyphenyl)cyclohexane-1,4-diamine
PubChem CID175562161
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(4-propoxyphenyl)cyclohexane-1,4-diamine
SMILESCCCOc1ccc(C2(N)CCC(N)CC2)cc1
InChIInChI=1S/C15H24N2O/c1-2-11-18-14-5-3-12(4-6-14)15(17)9-7-13(16)8-10-15/h3-6,13H,2,7-11,16-17H2,1H3
InChIKeySGMOXLRBGINIIH-UHFFFAOYSA-N
XLogP2.53
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine
CID 65081135
3,4-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-amine
CID 64733003
3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol
CID 80561531
1-(4-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 54919370
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine
CID 117316587
1-[4-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine
CID 117309901
N-(4-aminocyclohexyl)-2-(4-propoxyphenoxy)acetamide;hydrochloride
CID 119474575
2-methylsulfonyl-1-(4-propoxyphenyl)cyclopentan-1-ol
CID 65049759
1-(4-propoxyphenyl)pyrrolidin-3-amine
CID 62329191
3-amino-1-(4-ethoxyphenyl)cyclopentan-1-ol
CID 80561943
N-methyl-1-[1-(4-propoxyphenyl)cyclopropyl]methanamine
CID 112517810

Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxyphenyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-(4-propoxyphenyl)cyclohexane-1,4-diamine (CID 175562161) is 1-(4-propoxyphenyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-(4-propoxyphenyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-(4-propoxyphenyl)cyclohexane-1,4-diamine is CCCOc1ccc(C2(N)CCC(N)CC2)cc1.
What is the InChIKey of 1-(4-propoxyphenyl)cyclohexane-1,4-diamine?
The InChIKey is SGMOXLRBGINIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-11-18-14-5-3-12(4-6-14)15(17)9-7-13(16)8-10-15/h3-6,13H,2,7-11,16-17H2,1H3.
What are the key properties of 1-(4-propoxyphenyl)cyclohexane-1,4-diamine?
1-(4-propoxyphenyl)cyclohexane-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxyphenyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 175562161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).