N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine

C18H29NO2 — CID 63500325

IUPACN-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(OCC2CCCC2)c(CNCC(C)C)c1
InChIInChI=1S/C18H29NO2/c1-14(2)11-19-12-16-10-17(20-3)8-9-18(16)21-13-15-6-4-5-7-15/h8-10,14-15,19H,4-7,11-13H2,1-3H3
InChIKeyUAWIHSLNCMMSBA-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.01
Rot. Bonds8

About N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine

N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63500325) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
PubChem CID63500325
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(OCC2CCCC2)c(CNCC(C)C)c1
InChIInChI=1S/C18H29NO2/c1-14(2)11-19-12-16-10-17(20-3)8-9-18(16)21-13-15-6-4-5-7-15/h8-10,14-15,19H,4-7,11-13H2,1-3H3
InChIKeyUAWIHSLNCMMSBA-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 61342420
1-[2-(cyclopropylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 43560073
N-[[5-methoxy-2-(oxan-4-yloxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63936014
2-[2-(cyclopentylmethoxy)-5-methoxyphenyl]ethanamine
CID 61343767
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 167530984
N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 106436916
N-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 119129654
N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276456
methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63062325
N-[[2-(cyclopropylmethoxymethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 106929257
N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 66322072
N-[[2-(cyclopropylmethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63485658

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine (CID 63500325) is N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine is COc1ccc(OCC2CCCC2)c(CNCC(C)C)c1.
What is the InChIKey of N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is UAWIHSLNCMMSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)11-19-12-16-10-17(20-3)8-9-18(16)21-13-15-6-4-5-7-15/h8-10,14-15,19H,4-7,11-13H2,1-3H3.
What are the key properties of N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine?
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63500325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).