N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine

C14H21F2N — CID 115526455

IUPACN-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cccc(C(F)F)c1
InChIInChI=1S/C14H21F2N/c1-3-4-6-11(2)17-10-12-7-5-8-13(9-12)14(15)16/h5,7-9,11,14,17H,3-4,6,10H2,1-2H3
InChIKeyAIYDPCMQQTUDOG-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.29
Rot. Bonds7

About N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine

N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine (PubChem CID 115526455) has the molecular formula C14H21F2N and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine
PubChem CID115526455
Molecular FormulaC14H21F2N
Molecular Weight241.33 g/mol
Exact Mass241.16
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cccc(C(F)F)c1
InChIInChI=1S/C14H21F2N/c1-3-4-6-11(2)17-10-12-7-5-8-13(9-12)14(15)16/h5,7-9,11,14,17H,3-4,6,10H2,1-2H3
InChIKeyAIYDPCMQQTUDOG-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(hexan-2-ylamino)methyl]benzonitrile
CID 60918563
N-[[3-(difluoromethyl)phenyl]methyl]hex-1-yn-3-amine
CID 114160795
N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 115526047
(2R)-N-benzylheptan-2-amine
CID 14923313
N-[[3-(trifluoromethoxy)phenyl]methyl]heptan-2-amine
CID 107104430
4-[(hexan-2-ylamino)methyl]benzene-1,2-diol
CID 62196921
2-fluoro-4-[(hexan-2-ylamino)methyl]phenol
CID 115722402
N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 115526298
3-[(octan-2-ylamino)methyl]benzonitrile
CID 43230027
2-[[3-(difluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 115526569
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
N-[[3-(difluoromethyl)phenyl]methyl]-1,1-dimethoxypropan-2-amine
CID 113328759

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine (CID 115526455) is N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine is CCCCC(C)NCc1cccc(C(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine?
The InChIKey is AIYDPCMQQTUDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-3-4-6-11(2)17-10-12-7-5-8-13(9-12)14(15)16/h5,7-9,11,14,17H,3-4,6,10H2,1-2H3.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine?
N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine has a molecular weight of 241.33 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine is sourced from PubChem (CID 115526455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).