N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine

C11H15F3N2 — CID 59828878

IUPACN-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine
SMILESCC(NCc1ccc(CN)cc1)C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-8(11(12,13)14)16-7-10-4-2-9(6-15)3-5-10/h2-5,8,16H,6-7,15H2,1H3
InChIKeyJVVOAKBGLAJRAP-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.19
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine

N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine (PubChem CID 59828878) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine
PubChem CID59828878
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine
SMILESCC(NCc1ccc(CN)cc1)C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-8(11(12,13)14)16-7-10-4-2-9(6-15)3-5-10/h2-5,8,16H,6-7,15H2,1H3
InChIKeyJVVOAKBGLAJRAP-UHFFFAOYSA-N
XLogP2.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 118957862
(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
CID 118957859
N-benzyl-3,3-difluorobutan-2-amine
CID 130723597
(2R)-N-[(2-bromo-4-pyridinyl)methyl]-1,1,1-trifluoropropan-2-amine
CID 129408237
[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methanamine;hydrochloride
CID 166667087
[4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride
CID 156808519
dipotassium;1-(bromomethyl)-4-fluorobenzene;hydride;methane;oxido formate;propan-2-amine;(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine;hydrochloride
CID 165095028
4-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]benzoic acid
CID 124594633
4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol
CID 115715682
[4-(2,2-difluoropropyl)phenyl]methanamine
CID 84660094
N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride
CID 22051255
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine (CID 59828878) is N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine is CC(NCc1ccc(CN)cc1)C(F)(F)F.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine?
The InChIKey is JVVOAKBGLAJRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-8(11(12,13)14)16-7-10-4-2-9(6-15)3-5-10/h2-5,8,16H,6-7,15H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine?
N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine has a molecular weight of 232.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 59828878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).