1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine

C16H25NO3 — CID 61342425

IUPAC1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)c(OCC2CCCC2)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-17-10-13-8-14(18-2)16(15(9-13)19-3)20-11-12-6-4-5-7-12/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyXZZVSLJUVDHMFD-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.99
Rot. Bonds7

About 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine

1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine (PubChem CID 61342425) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
PubChem CID61342425
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)c(OCC2CCCC2)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-17-10-13-8-14(18-2)16(15(9-13)19-3)20-11-12-6-4-5-7-12/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyXZZVSLJUVDHMFD-UHFFFAOYSA-N
XLogP2.99
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(cyclopropylmethoxymethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine
CID 106929200
[4-(cyclohexylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 15752535
[4-(cyclobutylmethoxy)-3,5-dimethoxyphenyl]methanol
CID 65458991
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]propan-2-amine
CID 61343582
1-[3-bromo-4-(cyclobutylmethoxy)-5-ethoxyphenyl]-N-methylmethanamine
CID 65457314
1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63535191
N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 521855
5-(bromomethyl)-1-chloro-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63536015
2-cyclopentyl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 60733457
1-[2-(cyclohexylmethoxy)-6-methyl-4-pyridinyl]-N-methylmethanamine
CID 113379534
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanamine
CID 61344623
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine (CID 61342425) is 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine is CNCc1cc(OC)c(OCC2CCCC2)c(OC)c1.
What is the InChIKey of 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine?
The InChIKey is XZZVSLJUVDHMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-17-10-13-8-14(18-2)16(15(9-13)19-3)20-11-12-6-4-5-7-12/h8-9,12,17H,4-7,10-11H2,1-3H3.
What are the key properties of 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine?
1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylmethoxy)-3,5-dimethoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 61342425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).