N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine

C17H27NO — CID 116762278

IUPACN-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)C1(OCC)CCCC1
InChIInChI=1S/C17H27NO/c1-4-18-16(15-11-7-6-10-14(15)3)17(19-5-2)12-8-9-13-17/h6-7,10-11,16,18H,4-5,8-9,12-13H2,1-3H3
InChIKeyFKKROAWVXDKAQT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.99
Rot. Bonds6

About N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine

N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine (PubChem CID 116762278) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
PubChem CID116762278
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)C1(OCC)CCCC1
InChIInChI=1S/C17H27NO/c1-4-18-16(15-11-7-6-10-14(15)3)17(19-5-2)12-8-9-13-17/h6-7,10-11,16,18H,4-5,8-9,12-13H2,1-3H3
InChIKeyFKKROAWVXDKAQT-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251
N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764056
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125
N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762307
1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 116765719
N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762306
N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 116762140
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
[(4-ethoxyoxan-4-yl)-(2-methylphenyl)methyl]hydrazine
CID 105276746
N-[(1-ethoxycyclopentyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116762310
[(2,3-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276240
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine (CID 116762278) is N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine is CCNC(c1ccccc1C)C1(OCC)CCCC1.
What is the InChIKey of N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine?
The InChIKey is FKKROAWVXDKAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-18-16(15-11-7-6-10-14(15)3)17(19-5-2)12-8-9-13-17/h6-7,10-11,16,18H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine?
N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 116762278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).