N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine

C16H25NO — CID 116762125

IUPACN-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)C1(OCC)CCCC1
InChIInChI=1S/C16H25NO/c1-3-17-15(14-10-6-5-7-11-14)16(18-4-2)12-8-9-13-16/h5-7,10-11,15,17H,3-4,8-9,12-13H2,1-2H3
InChIKeyAEQHKOBWYOGGAK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.69
Rot. Bonds6

About N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine

N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine (PubChem CID 116762125) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
PubChem CID116762125
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)C1(OCC)CCCC1
InChIInChI=1S/C16H25NO/c1-3-17-15(14-10-6-5-7-11-14)16(18-4-2)12-8-9-13-16/h5-7,10-11,15,17H,3-4,8-9,12-13H2,1-2H3
InChIKeyAEQHKOBWYOGGAK-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104
N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine
CID 116771021
N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
CID 116762278
N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762306
N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine
CID 116765963
1-(1-ethoxycyclopentyl)-N-ethyl-3-phenylpropan-1-amine
CID 116762128
N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762307
1-(4-ethoxyoxan-4-yl)-N-methyl-1-phenylmethanamine
CID 116765565
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 116762445

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine?
The IUPAC name of N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine (CID 116762125) is N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine?
The canonical SMILES for N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine is CCNC(c1ccccc1)C1(OCC)CCCC1.
What is the InChIKey of N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine?
The InChIKey is AEQHKOBWYOGGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-17-15(14-10-6-5-7-11-14)16(18-4-2)12-8-9-13-16/h5-7,10-11,15,17H,3-4,8-9,12-13H2,1-2H3.
What are the key properties of N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine?
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine is sourced from PubChem (CID 116762125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).