(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine

C11H15F2N — CID 93284909

IUPAC(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1cc(F)ccc1F
InChIInChI=1S/C11H15F2N/c1-3-8(2)14-7-9-6-10(12)4-5-11(9)13/h4-6,8,14H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyKTVQCUMBQVUNQR-MRVPVSSYSA-N
MW199.24 g/mol
LogP2.85
Rot. Bonds4

About (2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine

(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine (PubChem CID 93284909) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is (2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
PubChem CID93284909
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1cc(F)ccc1F
InChIInChI=1S/C11H15F2N/c1-3-8(2)14-7-9-6-10(12)4-5-11(9)13/h4-6,8,14H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyKTVQCUMBQVUNQR-MRVPVSSYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine
CID 104868144
N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
3-[(butan-2-ylamino)methyl]-4-fluorobenzoic acid
CID 107452341
N-[(2,5-difluorophenyl)methyl]hexan-3-amine
CID 62119463
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
3-[(2,5-difluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448600
1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43680952
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794443
N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine
CID 114842422
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43312742

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine?
The IUPAC name of (2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine (CID 93284909) is (2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine?
The canonical SMILES for (2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine is CC[C@@H](C)NCc1cc(F)ccc1F.
What is the InChIKey of (2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine?
The InChIKey is KTVQCUMBQVUNQR-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-8(2)14-7-9-6-10(12)4-5-11(9)13/h4-6,8,14H,3,7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine?
(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine has a molecular weight of 199.24 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine is sourced from PubChem (CID 93284909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).