N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine

C16H23Cl2NO — CID 116762307

IUPACN-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1Cl)C1(OCC)CCCC1
InChIInChI=1S/C16H23Cl2NO/c1-3-19-15(12-8-7-9-13(17)14(12)18)16(20-4-2)10-5-6-11-16/h7-9,15,19H,3-6,10-11H2,1-2H3
InChIKeyFRJGNMMJMNHJHR-UHFFFAOYSA-N
MW316.27 g/mol
LogP4.99
Rot. Bonds6

About N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine

N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine (PubChem CID 116762307) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
PubChem CID116762307
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC NameN-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1Cl)C1(OCC)CCCC1
InChIInChI=1S/C16H23Cl2NO/c1-3-19-15(12-8-7-9-13(17)14(12)18)16(20-4-2)10-5-6-11-16/h7-9,15,19H,3-6,10-11H2,1-2H3
InChIKeyFRJGNMMJMNHJHR-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
CID 116762278
1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768334
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125
N-[(2,3-dichlorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63417837
N-[(5-chlorothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116771030
N-[(1-ethoxycyclopentyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116762310
N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764056
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104
N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 116762140
N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine
CID 116771021
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine (CID 116762307) is N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1Cl)C1(OCC)CCCC1.
What is the InChIKey of N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine?
The InChIKey is FRJGNMMJMNHJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-3-19-15(12-8-7-9-13(17)14(12)18)16(20-4-2)10-5-6-11-16/h7-9,15,19H,3-6,10-11H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine?
N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine has a molecular weight of 316.27 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)-(1-ethoxycyclopentyl)methyl]ethanamine is sourced from PubChem (CID 116762307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).