(2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine

C19H40FNO — CID 163926539

IUPAC(2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine
SMILESCCCC[C@@H](C[C@H](C)C[C@@](C)(CC)C[C@H](F)CN)OCCC
InChIInChI=1S/C19H40FNO/c1-6-9-10-18(22-11-7-2)12-16(4)13-19(5,8-3)14-17(20)15-21/h16-18H,6-15,21H2,1-5H3/t16-,17-,18-,19+/m0/s1
InChIKeyREZAFWKUVXBAPF-CADBVGFASA-N
MW317.53 g/mol
LogP5.49
Rot. Bonds14

About (2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine

(2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine (PubChem CID 163926539) has the molecular formula C19H40FNO and a molecular weight of 317.53 g/mol. Its IUPAC name is (2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine.

Molecular Properties

Compound Name(2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine
PubChem CID163926539
Molecular FormulaC19H40FNO
Molecular Weight317.53 g/mol
Exact Mass317.31
IUPAC Name(2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine
SMILESCCCC[C@@H](C[C@H](C)C[C@@](C)(CC)C[C@H](F)CN)OCCC
InChIInChI=1S/C19H40FNO/c1-6-9-10-18(22-11-7-2)12-16(4)13-19(5,8-3)14-17(20)15-21/h16-18H,6-15,21H2,1-5H3/t16-,17-,18-,19+/m0/s1
InChIKeyREZAFWKUVXBAPF-CADBVGFASA-N
XLogP5.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.53
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-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

2-[2-Isopropyl-4-(3-methylbutyl)tetrahydropyran-4-yl]-ethylamine
CID 129768638
14-Ethoxy-13,13-dimethyltetradecan-1-amine
CID 111508
3-Fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
CID 107443533
3-Fluoro-6-(oxolan-2-yl)-2-propan-2-ylhexan-1-amine
CID 107443727
2-Ethyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine
CID 112565907
2-Tert-butyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine
CID 112566438
2-Fluoro-3,3-dimethyl-2-[2-(oxolan-2-yl)ethyl]butan-1-amine
CID 112566646
2-Fluoro-5-(oxolan-2-yl)-2-propan-2-ylpentan-1-amine
CID 112566747
2-Fluoro-5-(oxolan-2-yl)-2-propylpentan-1-amine
CID 112567688
13-Methyl-13-(oxiran-2-yl)tetradecan-1-amine
CID 53854964
6-Methoxy-2-(3-methoxy-2,2-dimethylpropyl)-5,5-dimethylhexan-1-amine
CID 88558168
2-[2-Butan-2-yl-2-(4-methyl-3-propoxycycloheptyl)cyclopropyl]propan-1-amine
CID 91593011

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine?
The IUPAC name of (2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine (CID 163926539) is (2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine.
What is the SMILES notation for (2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine?
The canonical SMILES for (2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine is CCCC[C@@H](C[C@H](C)C[C@@](C)(CC)C[C@H](F)CN)OCCC.
What is the InChIKey of (2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine?
The InChIKey is REZAFWKUVXBAPF-CADBVGFASA-N. The full InChI is InChI=1S/C19H40FNO/c1-6-9-10-18(22-11-7-2)12-16(4)13-19(5,8-3)14-17(20)15-21/h16-18H,6-15,21H2,1-5H3/t16-,17-,18-,19+/m0/s1.
What are the key properties of (2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine?
(2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine has a molecular weight of 317.53 g/mol, XLogP of 5.49, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R,8S)-4-ethyl-2-fluoro-4,6-dimethyl-8-propoxydodecan-1-amine is sourced from PubChem (CID 163926539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).