N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine

C18H29NO — CID 66322072

IUPACN-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccccc1COCC1CCCC1
InChIInChI=1S/C18H29NO/c1-15(2)11-19-12-17-9-5-6-10-18(17)14-20-13-16-7-3-4-8-16/h5-6,9-10,15-16,19H,3-4,7-8,11-14H2,1-2H3
InChIKeyCMTKHUXXWCQWRE-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.14
Rot. Bonds8

About N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine

N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 66322072) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID66322072
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccccc1COCC1CCCC1
InChIInChI=1S/C18H29NO/c1-15(2)11-19-12-17-9-5-6-10-18(17)14-20-13-16-7-3-4-8-16/h5-6,9-10,15-16,19H,3-4,7-8,11-14H2,1-2H3
InChIKeyCMTKHUXXWCQWRE-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(cyclobutyloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 55073049
N-[[5-(cyclohexylmethoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558833
N-[[2-(3,3-dimethylbutoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 66227505
N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63072459
N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107457131
2-methyl-N-[[2-(3-methylbut-3-enoxymethyl)phenyl]methyl]propan-1-amine
CID 114470753
N-[[3-chloro-2-(cyclopropylmethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 106929415
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63500325
2-(cyclohexylmethoxymethyl)benzaldehyde
CID 91656697
N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287115
2-methyl-N-[[2-methyl-5-(oxan-4-ylmethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62484927
N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 105349885

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine (CID 66322072) is N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccccc1COCC1CCCC1.
What is the InChIKey of N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is CMTKHUXXWCQWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15(2)11-19-12-17-9-5-6-10-18(17)14-20-13-16-7-3-4-8-16/h5-6,9-10,15-16,19H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66322072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).