3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol

C14H21F2NO — CID 113328387

IUPAC3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol
SMILESCCC(CCO)CNCc1ccc(C(F)F)cc1
InChIInChI=1S/C14H21F2NO/c1-2-11(7-8-18)9-17-10-12-3-5-13(6-4-12)14(15)16/h3-6,11,14,17-18H,2,7-10H2,1H3
InChIKeyNYKXWIRKBIQXRH-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.12
Rot. Bonds8

About 3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol

3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol (PubChem CID 113328387) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol
PubChem CID113328387
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol
SMILESCCC(CCO)CNCc1ccc(C(F)F)cc1
InChIInChI=1S/C14H21F2NO/c1-2-11(7-8-18)9-17-10-12-3-5-13(6-4-12)14(15)16/h3-6,11,14,17-18H,2,7-10H2,1H3
InChIKeyNYKXWIRKBIQXRH-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613
2-[[(4-bromophenyl)methylamino]methyl]butan-1-ol
CID 115250747
2-[4-[(2-ethylbutylamino)methyl]phenyl]propanoic acid
CID 103267076
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
CID 111470632
3-[[4-(difluoromethyl)phenyl]methylamino]-2,2-dimethylpropan-1-ol
CID 115524181
2-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]butan-1-ol
CID 115250761
3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]pentan-1-ol
CID 103748663
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115254964

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol?
The IUPAC name of 3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol (CID 113328387) is 3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol is CCC(CCO)CNCc1ccc(C(F)F)cc1.
What is the InChIKey of 3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol?
The InChIKey is NYKXWIRKBIQXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-2-11(7-8-18)9-17-10-12-3-5-13(6-4-12)14(15)16/h3-6,11,14,17-18H,2,7-10H2,1H3.
What are the key properties of 3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol?
3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol has a molecular weight of 257.32 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pentan-1-ol is sourced from PubChem (CID 113328387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).