N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine

C13H19F2NO — CID 43177714

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine
SMILESCCCC(C)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H19F2NO/c1-3-4-10(2)16-9-11-5-7-12(8-6-11)17-13(14)15/h5-8,10,13,16H,3-4,9H2,1-2H3
InChIKeyGRAFWVFUHOWKBM-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.57
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine

N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine (PubChem CID 43177714) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine
PubChem CID43177714
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine
SMILESCCCC(C)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H19F2NO/c1-3-4-10(2)16-9-11-5-7-12(8-6-11)17-13(14)15/h5-8,10,13,16H,3-4,9H2,1-2H3
InChIKeyGRAFWVFUHOWKBM-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol
CID 119122210
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 43182373
4-[[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]methyl]benzoic acid
CID 122036120
N-[[4-(chloromethyl)phenyl]methyl]pentan-2-amine
CID 107887675
N-[[4-(difluoromethoxy)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434892
(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
N-[(4-methoxyphenyl)methyl]hexan-2-amine
CID 43760039
N-[[4-(difluoromethoxy)phenyl]methyl]-4-methylpent-1-yn-3-amine
CID 114202061
4-[4-(difluoromethoxy)phenyl]-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 43185229
N-[(4-ethoxyphenyl)methyl]hexan-2-amine
CID 62197866
4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol
CID 43205404
N-but-2-ynyl-4-[4-(difluoromethoxy)phenyl]butan-2-amine
CID 115896886

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine (CID 43177714) is N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine is CCCC(C)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine?
The InChIKey is GRAFWVFUHOWKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-3-4-10(2)16-9-11-5-7-12(8-6-11)17-13(14)15/h5-8,10,13,16H,3-4,9H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine?
N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine has a molecular weight of 243.30 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine is sourced from PubChem (CID 43177714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).