1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine

C13H19FN2 — CID 116912305

IUPAC1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1cccc(F)c1)C1(CN)CC1
InChIInChI=1S/C13H19FN2/c1-16(2)12(13(9-15)6-7-13)10-4-3-5-11(14)8-10/h3-5,8,12H,6-7,9,15H2,1-2H3
InChIKeyGVGANTBKUOVCTA-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.17
Rot. Bonds4

About 1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine

1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine (PubChem CID 116912305) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine
PubChem CID116912305
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1cccc(F)c1)C1(CN)CC1
InChIInChI=1S/C13H19FN2/c1-16(2)12(13(9-15)6-7-13)10-4-3-5-11(14)8-10/h3-5,8,12H,6-7,9,15H2,1-2H3
InChIKeyGVGANTBKUOVCTA-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate
CID 116912777
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-fluorophenyl)methanol
CID 79137949
[2-(aminomethyl)-1,3-dihydroinden-2-yl]-(3-fluorophenyl)methanol
CID 79138516
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine
CID 116907486
1-(3-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905619
[1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912694
1-[1-(3-fluorophenyl)ethyl]cyclopentan-1-ol
CID 144756929
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline
CID 79848165
1-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066068
N',1-bis(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62644884

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine (CID 116912305) is 1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine is CN(C)C(c1cccc(F)c1)C1(CN)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine?
The InChIKey is GVGANTBKUOVCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-16(2)12(13(9-15)6-7-13)10-4-3-5-11(14)8-10/h3-5,8,12H,6-7,9,15H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine?
1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropyl]-1-(3-fluorophenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 116912305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).