N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine

C18H28N2O — CID 79536668

IUPACN-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESCOc1cccc(CNC2CCCCC2C2CCCN2)c1
InChIInChI=1S/C18H28N2O/c1-21-15-7-4-6-14(12-15)13-20-18-9-3-2-8-16(18)17-10-5-11-19-17/h4,6-7,12,16-20H,2-3,5,8-11,13H2,1H3
InChIKeyYOGZQJNAMNAECD-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.10
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine

N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine (PubChem CID 79536668) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
PubChem CID79536668
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine
SMILESCOc1cccc(CNC2CCCCC2C2CCCN2)c1
InChIInChI=1S/C18H28N2O/c1-21-15-7-4-6-14(12-15)13-20-18-9-3-2-8-16(18)17-10-5-11-19-17/h4,6-7,12,16-20H,2-3,5,8-11,13H2,1H3
InChIKeyYOGZQJNAMNAECD-UHFFFAOYSA-N
XLogP3.10
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544582
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
N-[(3-fluorophenyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79544989
N-benzyl-2-piperidin-2-ylcyclopentan-1-amine
CID 79545054
N-(pyridin-3-ylmethyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 79545849
3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545058
N-[(4-ethylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 106899423
2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 115691352
N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79537133
N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79537931
N-[[3-(methoxymethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915585

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine (CID 79536668) is N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine is COc1cccc(CNC2CCCCC2C2CCCN2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
The InChIKey is YOGZQJNAMNAECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-21-15-7-4-6-14(12-15)13-20-18-9-3-2-8-16(18)17-10-5-11-19-17/h4,6-7,12,16-20H,2-3,5,8-11,13H2,1H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine?
N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine has a molecular weight of 288.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylcyclohexan-1-amine is sourced from PubChem (CID 79536668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).