N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine

C14H20ClNO — CID 116714564

IUPACN-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)C1(OC)CCC1
InChIInChI=1S/C14H20ClNO/c1-3-16-13(14(17-2)9-4-10-14)11-5-7-12(15)8-6-11/h5-8,13,16H,3-4,9-10H2,1-2H3
InChIKeyKNBIIESHADVKJD-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.56
Rot. Bonds5

About N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine

N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine (PubChem CID 116714564) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
PubChem CID116714564
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)C1(OC)CCC1
InChIInChI=1S/C14H20ClNO/c1-3-16-13(14(17-2)9-4-10-14)11-5-7-12(15)8-6-11/h5-8,13,16H,3-4,9-10H2,1-2H3
InChIKeyKNBIIESHADVKJD-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769611
N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714561
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192
N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611302
N-[(2-chloro-6-fluorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 114275214
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 116714736
N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine
CID 116714645
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251
N-[(1-methoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116763285
N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 116714647

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine (CID 116714564) is N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1)C1(OC)CCC1.
What is the InChIKey of N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine?
The InChIKey is KNBIIESHADVKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-16-13(14(17-2)9-4-10-14)11-5-7-12(15)8-6-11/h5-8,13,16H,3-4,9-10H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine?
N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine has a molecular weight of 253.77 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine is sourced from PubChem (CID 116714564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).