1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine

C13H19FN2 — CID 116958521

IUPAC1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCNCC1(C(NC)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN2/c1-15-9-13(7-8-13)12(16-2)10-3-5-11(14)6-4-10/h3-6,12,15-16H,7-9H2,1-2H3
InChIKeyQHTVCZXIVPMXGR-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.09
Rot. Bonds5

About 1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine

1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine (PubChem CID 116958521) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
PubChem CID116958521
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
SMILESCNCC1(C(NC)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN2/c1-15-9-13(7-8-13)12(16-2)10-3-5-11(14)6-4-10/h3-6,12,15-16H,7-9H2,1-2H3
InChIKeyQHTVCZXIVPMXGR-UHFFFAOYSA-N
XLogP2.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958531
N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-phenylmethanamine
CID 116958853
N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine
CID 116958870
N,N-diethyl-1-[(4-fluorophenyl)-(methylamino)methyl]cyclopentan-1-amine
CID 79070190
1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 116958371
1-[(4-fluorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958929
1-(5-chlorothiophen-2-yl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958541
1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684144
1,1-bis(4-fluorophenyl)-N-methylmethanamine
CID 22660961
(4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943497
(5-fluoro-2-methoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943513
1-[1-(4-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954797

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine (CID 116958521) is 1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine is CNCC1(C(NC)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
The InChIKey is QHTVCZXIVPMXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-15-9-13(7-8-13)12(16-2)10-3-5-11(14)6-4-10/h3-6,12,15-16H,7-9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine?
1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine has a molecular weight of 222.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine is sourced from PubChem (CID 116958521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).