N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine

C16H24ClNO2 — CID 116714786

IUPACN-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(OC)c1)C1(OC)CCC1
InChIInChI=1S/C16H24ClNO2/c1-4-10-18-15(16(20-3)8-5-9-16)12-6-7-13(17)14(11-12)19-2/h6-7,11,15,18H,4-5,8-10H2,1-3H3
InChIKeyFCZUEMZABDDIMU-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.96
Rot. Bonds7

About N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine

N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine (PubChem CID 116714786) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
PubChem CID116714786
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)c(OC)c1)C1(OC)CCC1
InChIInChI=1S/C16H24ClNO2/c1-4-10-18-15(16(20-3)8-5-9-16)12-6-7-13(17)14(11-12)19-2/h6-7,11,15,18H,4-5,8-10H2,1-3H3
InChIKeyFCZUEMZABDDIMU-UHFFFAOYSA-N
XLogP3.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714856
N-[(4-chloro-3-methoxyphenyl)-(1-methylcyclohexyl)methyl]propan-1-amine
CID 106830322
N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 116714736
N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611302
N-[(1-methoxycyclobutyl)-quinolin-6-ylmethyl]propan-1-amine
CID 116714935
N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763409
N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714564
1-(4-chloro-3-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559564
N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763465
4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine
CID 79700435
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
N-[2-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714785

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine (CID 116714786) is N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)c(OC)c1)C1(OC)CCC1.
What is the InChIKey of N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine?
The InChIKey is FCZUEMZABDDIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-4-10-18-15(16(20-3)8-5-9-16)12-6-7-13(17)14(11-12)19-2/h6-7,11,15,18H,4-5,8-10H2,1-3H3.
What are the key properties of N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine?
N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine has a molecular weight of 297.83 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine is sourced from PubChem (CID 116714786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).