N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine

C18H29NO2 — CID 105052066

IUPACN-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1c(OC)cccc1OC)C1(C)CCCC1
InChIInChI=1S/C18H29NO2/c1-5-13-19-17(18(2)11-6-7-12-18)16-14(20-3)9-8-10-15(16)21-4/h8-10,17,19H,5-7,11-13H2,1-4H3
InChIKeyUJPBPHANOJCWPL-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.32
Rot. Bonds7

About N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine

N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine (PubChem CID 105052066) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine
PubChem CID105052066
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine
SMILESCCCNC(c1c(OC)cccc1OC)C1(C)CCCC1
InChIInChI=1S/C18H29NO2/c1-5-13-19-17(18(2)11-6-7-12-18)16-14(20-3)9-8-10-15(16)21-4/h8-10,17,19H,5-7,11-13H2,1-4H3
InChIKeyUJPBPHANOJCWPL-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-3-methoxyphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106830322
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105047944
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105048293
N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115795037
N-[(3,4-dimethylphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106826930
1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116810820
N-[(5-fluoro-2-methoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 82771870
N-[(2,6-dimethoxyphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105188741
N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115826614
1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 105052111
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116810352
N-[1-(2,6-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 116810465

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine (CID 105052066) is N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine is CCCNC(c1c(OC)cccc1OC)C1(C)CCCC1.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine?
The InChIKey is UJPBPHANOJCWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-13-19-17(18(2)11-6-7-12-18)16-14(20-3)9-8-10-15(16)21-4/h8-10,17,19H,5-7,11-13H2,1-4H3.
What are the key properties of N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine?
N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)-(1-methylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 105052066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).