N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine

C10H21F2NO — CID 134270019

IUPACN-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine
SMILESCCCCN(C)CC(C)COC(F)F
InChIInChI=1S/C10H21F2NO/c1-4-5-6-13(3)7-9(2)8-14-10(11)12/h9-10H,4-8H2,1-3H3
InChIKeyVJECMLVHDUXUJT-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.59
Rot. Bonds8

About N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine

N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine (PubChem CID 134270019) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine
PubChem CID134270019
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC NameN-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine
SMILESCCCCN(C)CC(C)COC(F)F
InChIInChI=1S/C10H21F2NO/c1-4-5-6-13(3)7-9(2)8-14-10(11)12/h9-10H,4-8H2,1-3H3
InChIKeyVJECMLVHDUXUJT-UHFFFAOYSA-N
XLogP2.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-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-ethoxy-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 57680080
4-(1,1-difluoro-2-methylpropoxy)-N,N-dimethylbutan-1-amine
CID 58422628
1-(Ethoxymethyl)-1-(2-methylpropyl)pyrrolidin-1-ium;fluoroform
CID 69491737
N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine
CID 90245806
3-methoxy-N,3-dimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine
CID 117937214
3-(difluoromethoxy)-N,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 129108301
3-(difluoromethoxy)-N-ethyl-N,2-dimethylpropan-1-amine
CID 134269872
3-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)azetidine
CID 137419190
N-butyl-N-(2,2,2-trifluoro-1-methoxyethyl)butan-1-amine
CID 140129720
N-propyl-N-(2,2,2-trifluoro-1-methoxyethyl)propan-1-amine
CID 140129727
N-[difluoro(oxolan-3-yl)methyl]-N-ethylethanamine
CID 140159606
N-ethyl-3-(1-fluoropropoxy)-N,2-dimethylpropan-1-amine
CID 144384726

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine?
The IUPAC name of N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine (CID 134270019) is N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine is CCCCN(C)CC(C)COC(F)F.
What is the InChIKey of N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine?
The InChIKey is VJECMLVHDUXUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-4-5-6-13(3)7-9(2)8-14-10(11)12/h9-10H,4-8H2,1-3H3.
What are the key properties of N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine?
N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine has a molecular weight of 209.28 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(difluoromethoxy)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 134270019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).