1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine

C18H28N2O2 — CID 117489868

IUPAC1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine
SMILESCOc1ccc(C2(N)CCCCC2)cc1OC1CCN(C)C1
InChIInChI=1S/C18H28N2O2/c1-20-11-8-15(13-20)22-17-12-14(6-7-16(17)21-2)18(19)9-4-3-5-10-18/h6-7,12,15H,3-5,8-11,13,19H2,1-2H3
InChIKeyPBVUJUXQQBZHBC-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.90
Rot. Bonds4

About 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine

1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine (PubChem CID 117489868) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine
PubChem CID117489868
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine
SMILESCOc1ccc(C2(N)CCCCC2)cc1OC1CCN(C)C1
InChIInChI=1S/C18H28N2O2/c1-20-11-8-15(13-20)22-17-12-14(6-7-16(17)21-2)18(19)9-4-3-5-10-18/h6-7,12,15H,3-5,8-11,13,19H2,1-2H3
InChIKeyPBVUJUXQQBZHBC-UHFFFAOYSA-N
XLogP2.90
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117444451
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 115005056
1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117470745
1-[4-(1,1-dioxothietan-3-yl)oxy-3-methoxyphenyl]cyclopentan-1-amine
CID 117496257
1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol
CID 117444399
1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117448437
1-[[4-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]cyclopropan-1-amine
CID 117469540
1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine
CID 43146596
1-(3-cyclohexyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117436595
1-(3,4-dimethoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084119
1-(4-chloro-3-methoxyphenyl)cyclohexan-1-amine
CID 79700571
[1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]methanamine
CID 117488616

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine?
The IUPAC name of 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine (CID 117489868) is 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine is COc1ccc(C2(N)CCCCC2)cc1OC1CCN(C)C1.
What is the InChIKey of 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine?
The InChIKey is PBVUJUXQQBZHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-20-11-8-15(13-20)22-17-12-14(6-7-16(17)21-2)18(19)9-4-3-5-10-18/h6-7,12,15H,3-5,8-11,13,19H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine?
1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine has a molecular weight of 304.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]cyclohexan-1-amine is sourced from PubChem (CID 117489868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).