N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine

C15H23F2N — CID 43081026

IUPACN-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NCc1ccc(F)c(F)c1
InChIInChI=1S/C15H23F2N/c1-11(2)5-4-6-12(3)18-10-13-7-8-14(16)15(17)9-13/h7-9,11-12,18H,4-6,10H2,1-3H3
InChIKeyNQXQGUSKGFBUDV-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.27
Rot. Bonds7

About N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine

N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine (PubChem CID 43081026) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine
PubChem CID43081026
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine
SMILESCC(C)CCCC(C)NCc1ccc(F)c(F)c1
InChIInChI=1S/C15H23F2N/c1-11(2)5-4-6-12(3)18-10-13-7-8-14(16)15(17)9-13/h7-9,11-12,18H,4-6,10H2,1-3H3
InChIKeyNQXQGUSKGFBUDV-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-6,6,6-trifluorohexan-2-amine
CID 116534688
N-[(3,4-difluorophenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640064
N-[(3,4-difluorophenyl)methyl]hex-5-en-2-amine
CID 104581930
N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine
CID 63644837
N-[(3-chloro-4-fluorophenyl)methyl]-5-methylhexan-2-amine
CID 63478376
N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine
CID 18807565
2-fluoro-4-[(hexan-2-ylamino)methyl]phenol
CID 115722402
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pentan-2-amine
CID 103041364
N-[(3,4-difluorophenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 63455010
2-fluoro-4-[(heptan-2-ylamino)methyl]phenol
CID 103784673
2-fluoro-5-[(hexan-2-ylamino)methyl]benzonitrile
CID 114012120
1-(3,4-difluorophenyl)-N-(2-methylpropoxy)methanamine
CID 82709732

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine (CID 43081026) is N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine is CC(C)CCCC(C)NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine?
The InChIKey is NQXQGUSKGFBUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-11(2)5-4-6-12(3)18-10-13-7-8-14(16)15(17)9-13/h7-9,11-12,18H,4-6,10H2,1-3H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine?
N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine has a molecular weight of 255.35 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-6-methylheptan-2-amine is sourced from PubChem (CID 43081026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).