5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine

C15H23F2N — CID 65304479

IUPAC5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(CCNC(C)C)CCc1ccc(F)c(F)c1
InChIInChI=1S/C15H23F2N/c1-11(2)18-9-8-12(3)4-5-13-6-7-14(16)15(17)10-13/h6-7,10-12,18H,4-5,8-9H2,1-3H3
InChIKeyOZLWPKBUDXBLIU-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.92
Rot. Bonds7

About 5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine

5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 65304479) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
PubChem CID65304479
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(CCNC(C)C)CCc1ccc(F)c(F)c1
InChIInChI=1S/C15H23F2N/c1-11(2)18-9-8-12(3)4-5-13-6-7-14(16)15(17)10-13/h6-7,10-12,18H,4-5,8-9H2,1-3H3
InChIKeyOZLWPKBUDXBLIU-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 79735912
4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 82924989
5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304384
5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304387
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115
3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine
CID 66258058
1-(3,4-difluorophenyl)-2-methyl-4-(propan-2-ylamino)butan-2-ol
CID 82935066
N-[(3,4-difluorophenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 63455010
2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline
CID 84677881
1-(3,4-difluorophenyl)-5-(propan-2-ylamino)pentan-2-one
CID 116558289
1,2-dichloro-4-[(3S)-5-(3-fluoro-4-methylphenyl)-3-methylpentyl]benzene
CID 147947080
5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 105400317

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine (CID 65304479) is 5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine is CC(CCNC(C)C)CCc1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is OZLWPKBUDXBLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-11(2)18-9-8-12(3)4-5-13-6-7-14(16)15(17)10-13/h6-7,10-12,18H,4-5,8-9H2,1-3H3.
What are the key properties of 5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 65304479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).