1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine

C12H17FN2 — CID 106661092

IUPAC1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
SMILESCN(Cc1ccc(F)cc1)C1(CN)CC1
InChIInChI=1S/C12H17FN2/c1-15(12(9-14)6-7-12)8-10-2-4-11(13)5-3-10/h2-5H,6-9,14H2,1H3
InChIKeyRKUCPBFTNBZWCQ-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.75
Rot. Bonds4

About 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine

1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine (PubChem CID 106661092) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
PubChem CID106661092
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
SMILESCN(Cc1ccc(F)cc1)C1(CN)CC1
InChIInChI=1S/C12H17FN2/c1-15(12(9-14)6-7-12)8-10-2-4-11(13)5-3-10/h2-5H,6-9,14H2,1H3
InChIKeyRKUCPBFTNBZWCQ-UHFFFAOYSA-N
XLogP1.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-benzyl-N-methylcyclopropan-1-amine
CID 106661010
1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine
CID 79521426
1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 62010342
3-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,4,4-trimethylthian-3-amine
CID 79949070
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62006198
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine
CID 54981505
4-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 61415917
4-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpiperidin-4-amine
CID 28798824
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine
CID 106663019
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
CID 106661100
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,3-dimethylcyclobutan-1-amine
CID 103562677

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine (CID 106661092) is 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine is CN(Cc1ccc(F)cc1)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine?
The InChIKey is RKUCPBFTNBZWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-15(12(9-14)6-7-12)8-10-2-4-11(13)5-3-10/h2-5H,6-9,14H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine?
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine has a molecular weight of 208.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylcyclopropan-1-amine is sourced from PubChem (CID 106661092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).