3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine

C17H25NO — CID 64623988

IUPAC3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCOc1cccc(CNC2CCCC(C3CC3)C2)c1
InChIInChI=1S/C17H25NO/c1-19-17-7-2-4-13(10-17)12-18-16-6-3-5-15(11-16)14-8-9-14/h2,4,7,10,14-16,18H,3,5-6,8-9,11-12H2,1H3
InChIKeyPKHYUSXUSUURCT-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.75
Rot. Bonds5

About 3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine

3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 64623988) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID64623988
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESCOc1cccc(CNC2CCCC(C3CC3)C2)c1
InChIInChI=1S/C17H25NO/c1-19-17-7-2-4-13(10-17)12-18-16-6-3-5-15(11-16)14-8-9-14/h2,4,7,10,14-16,18H,3,5-6,8-9,11-12H2,1H3
InChIKeyPKHYUSXUSUURCT-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
CID 124512291
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
3-[[(3-cyclopropylcyclohexyl)amino]methyl]benzenesulfonamide
CID 64623774
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carbonitrile
CID 115150172
2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 115691352
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
4-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60809214
3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 103698599
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544582

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine (CID 64623988) is 3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine is COc1cccc(CNC2CCCC(C3CC3)C2)c1.
What is the InChIKey of 3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is PKHYUSXUSUURCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-19-17-7-2-4-13(10-17)12-18-16-6-3-5-15(11-16)14-8-9-14/h2,4,7,10,14-16,18H,3,5-6,8-9,11-12H2,1H3.
What are the key properties of 3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine?
3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64623988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).