1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine

C14H21ClN2O — CID 116912282

IUPAC1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine
SMILESCOc1ccc(C(N(C)C)C2(CN)CC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-17(2)13(14(9-16)6-7-14)11-5-4-10(18-3)8-12(11)15/h4-5,8,13H,6-7,9,16H2,1-3H3
InChIKeyZRJIXVYINUOZCP-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.69
Rot. Bonds5

About 1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine

1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine (PubChem CID 116912282) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine
PubChem CID116912282
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine
SMILESCOc1ccc(C(N(C)C)C2(CN)CC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-17(2)13(14(9-16)6-7-14)11-5-4-10(18-3)8-12(11)15/h4-5,8,13H,6-7,9,16H2,1-3H3
InChIKeyZRJIXVYINUOZCP-UHFFFAOYSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclopropyl]-1-(2,4-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 116912259
1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N,N-dimethylmethanamine
CID 116912535
[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine
CID 116943372
[1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol
CID 116912133
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
1-(2-chloro-4-methoxyphenyl)-2-ethylbutan-1-amine
CID 43561758
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 115244233
[3-[amino-(2-chloro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944825
3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine
CID 116937731
[1-(aminomethyl)cyclopentyl]-(2,4-dimethoxyphenyl)methanol
CID 79135621

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine (CID 116912282) is 1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine is COc1ccc(C(N(C)C)C2(CN)CC2)c(Cl)c1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine?
The InChIKey is ZRJIXVYINUOZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-17(2)13(14(9-16)6-7-14)11-5-4-10(18-3)8-12(11)15/h4-5,8,13H,6-7,9,16H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine?
1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropyl]-1-(2-chloro-4-methoxyphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 116912282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).