(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine

C15H23NO3 — CID 104610743

IUPAC(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine
SMILESCOc1cc(OC)cc(C(N)C2(OC)CCCC2)c1
InChIInChI=1S/C15H23NO3/c1-17-12-8-11(9-13(10-12)18-2)14(16)15(19-3)6-4-5-7-15/h8-10,14H,4-7,16H2,1-3H3
InChIKeyYHXJTLLAQGYLTC-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.66
Rot. Bonds5

About (3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine

(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine (PubChem CID 104610743) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine
PubChem CID104610743
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine
SMILESCOc1cc(OC)cc(C(N)C2(OC)CCCC2)c1
InChIInChI=1S/C15H23NO3/c1-17-12-8-11(9-13(10-12)18-2)14(16)15(19-3)6-4-5-7-15/h8-10,14H,4-7,16H2,1-3H3
InChIKeyYHXJTLLAQGYLTC-UHFFFAOYSA-N
XLogP2.66
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylphenyl)-(1-methoxycycloheptyl)methanamine
CID 116769915
(3-chlorophenyl)-(1-methoxycyclopentyl)methanamine
CID 104610685
(1-methoxycycloheptyl)-(3-methylphenyl)methanamine
CID 116769914
(1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116769046
(3-fluoro-5-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116714117
(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713947
(2,4-dimethoxyphenyl)-(1-methoxycyclohexyl)methanamine
CID 116762780
(1-methoxycycloheptyl)-pyrimidin-5-ylmethanamine
CID 116769740
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
(3-fluoro-4-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 107129160
(1-ethoxycycloheptyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116770623
(1-methoxycyclopentyl)-quinolin-6-ylmethanamine
CID 104610565

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine?
The IUPAC name of (3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine (CID 104610743) is (3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine?
The canonical SMILES for (3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine is COc1cc(OC)cc(C(N)C2(OC)CCCC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine?
The InChIKey is YHXJTLLAQGYLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-12-8-11(9-13(10-12)18-2)14(16)15(19-3)6-4-5-7-15/h8-10,14H,4-7,16H2,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine?
(3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine has a molecular weight of 265.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(1-methoxycyclopentyl)methanamine is sourced from PubChem (CID 104610743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).