N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine

C15H21Cl2NO — CID 104611302

IUPACN-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)C1(OC)CCCC1
InChIInChI=1S/C15H21Cl2NO/c1-3-18-14(15(19-2)8-4-5-9-15)11-6-7-12(16)13(17)10-11/h6-7,10,14,18H,3-5,8-9H2,1-2H3
InChIKeyQCHCZEVJJGMFQZ-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.60
Rot. Bonds5

About N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine

N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine (PubChem CID 104611302) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
PubChem CID104611302
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC NameN-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)C1(OC)CCCC1
InChIInChI=1S/C15H21Cl2NO/c1-3-18-14(15(19-2)8-4-5-9-15)11-6-7-12(16)13(17)10-11/h6-7,10,14,18H,3-5,8-9H2,1-2H3
InChIKeyQCHCZEVJJGMFQZ-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714564
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192
N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine
CID 116770319
N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714561
N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714786
N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine
CID 116714645
N-[(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113432853
N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769611
N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116763272
N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine
CID 116770400
N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 116714647
N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 114730941

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine (CID 104611302) is N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine is CCNC(c1ccc(Cl)c(Cl)c1)C1(OC)CCCC1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine?
The InChIKey is QCHCZEVJJGMFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-3-18-14(15(19-2)8-4-5-9-15)11-6-7-12(16)13(17)10-11/h6-7,10,14,18H,3-5,8-9H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine?
N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine has a molecular weight of 302.25 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine is sourced from PubChem (CID 104611302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).