2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine

C18H29NO — CID 105351097

IUPAC2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine
SMILESCCNCC(C)c1ccc(COCC2CCCC2)cc1
InChIInChI=1S/C18H29NO/c1-3-19-12-15(2)18-10-8-17(9-11-18)14-20-13-16-6-4-5-7-16/h8-11,15-16,19H,3-7,12-14H2,1-2H3
InChIKeyVXUMASAYMMEUOA-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.11
Rot. Bonds8

About 2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine

2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine (PubChem CID 105351097) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine
PubChem CID105351097
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine
SMILESCCNCC(C)c1ccc(COCC2CCCC2)cc1
InChIInChI=1S/C18H29NO/c1-3-19-12-15(2)18-10-8-17(9-11-18)14-20-13-16-6-4-5-7-16/h8-11,15-16,19H,3-7,12-14H2,1-2H3
InChIKeyVXUMASAYMMEUOA-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(cyclopropylmethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349891
2-[4-[[(E)-but-2-enoxy]methyl]phenyl]-N-ethylpropan-1-amine
CID 105348774
2-[4-(cyclopentylmethoxymethyl)phenyl]propanoic acid
CID 105344994
N-ethyl-2-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105346333
N-ethyl-2-[4-(oxolan-3-yloxymethyl)phenyl]propan-1-amine
CID 105350924
N-[2-[4-(cyclopropylmethoxymethyl)phenyl]ethyl]-2-methylpropan-1-amine
CID 105349885
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]-N-ethylpropan-1-amine
CID 105348050
N-ethyl-2-[4-[(2-methylazepan-1-yl)methyl]phenyl]propan-1-amine
CID 105347840
2-[4-(pentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105350017
N-[2-[4-(propoxymethyl)phenyl]propyl]cyclopropanamine
CID 105349962
1-(cyclopropylmethoxymethyl)-4-(2-methylpropyl)benzene
CID 146471368
2-[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]-N-ethylpropan-1-amine
CID 105347314

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine?
The IUPAC name of 2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine (CID 105351097) is 2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine?
The canonical SMILES for 2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine is CCNCC(C)c1ccc(COCC2CCCC2)cc1.
What is the InChIKey of 2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine?
The InChIKey is VXUMASAYMMEUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-19-12-15(2)18-10-8-17(9-11-18)14-20-13-16-6-4-5-7-16/h8-11,15-16,19H,3-7,12-14H2,1-2H3.
What are the key properties of 2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine?
2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 105351097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).