N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine

C14H22FNO — CID 43493755

IUPACN-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCCNC(c1ccc(OC)c(F)c1)C(C)(C)C
InChIInChI=1S/C14H22FNO/c1-6-16-13(14(2,3)4)10-7-8-12(17-5)11(15)9-10/h7-9,13,16H,6H2,1-5H3
InChIKeyXWRRBPNXNSSATP-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.53
Rot. Bonds4

About N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine

N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine (PubChem CID 43493755) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
PubChem CID43493755
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
SMILESCCNC(c1ccc(OC)c(F)c1)C(C)(C)C
InChIInChI=1S/C14H22FNO/c1-6-16-13(14(2,3)4)10-7-8-12(17-5)11(15)9-10/h7-9,13,16H,6H2,1-5H3
InChIKeyXWRRBPNXNSSATP-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-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

N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 79495027
N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 115854344
1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 79197452
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197559
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
[2-chloro-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105265555
(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246839
1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43491310
3-cyclopropyl-N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 104995042
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044550
3-(ethylamino)-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 65233760

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine (CID 43493755) is N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine is CCNC(c1ccc(OC)c(F)c1)C(C)(C)C.
What is the InChIKey of N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is XWRRBPNXNSSATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-6-16-13(14(2,3)4)10-7-8-12(17-5)11(15)9-10/h7-9,13,16H,6H2,1-5H3.
What are the key properties of N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine?
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 43493755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).