1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine

C14H23FN2 — CID 60852438

IUPAC1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine
SMILESCCCCC(N)CN(C)Cc1cccc(F)c1
InChIInChI=1S/C14H23FN2/c1-3-4-8-14(16)11-17(2)10-12-6-5-7-13(15)9-12/h5-7,9,14H,3-4,8,10-11,16H2,1-2H3
InChIKeyKTVZOXKZLWTSHU-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.78
Rot. Bonds7

About 1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine

1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine (PubChem CID 60852438) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine
PubChem CID60852438
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine
SMILESCCCCC(N)CN(C)Cc1cccc(F)c1
InChIInChI=1S/C14H23FN2/c1-3-4-8-14(16)11-17(2)10-12-6-5-7-13(15)9-12/h5-7,9,14H,3-4,8,10-11,16H2,1-2H3
InChIKeyKTVZOXKZLWTSHU-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)nonan-2-amine
CID 63417129
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
CID 103830963
1-N-[(4-bromophenyl)methyl]-1-N-methylhexane-1,2-diamine
CID 61415507
N-[(3-fluorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544158
4-amino-1-[(3-fluorophenyl)methyl-methylamino]butan-2-ol
CID 117039251
2-[(3-fluorophenyl)methyl-methylamino]hexanoic acid
CID 113373573
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide
CID 60939195
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,2-diamine
CID 61416986
4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 55080874
1-(2-chlorohexyl)-3-fluorobenzene
CID 63542141
1-N-(3-fluorophenyl)hexane-1,2-diamine
CID 83951003
1-N-[(3-bromophenyl)methyl]-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929581

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine?
The IUPAC name of 1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine (CID 60852438) is 1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine.
What is the SMILES notation for 1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine?
The canonical SMILES for 1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine is CCCCC(N)CN(C)Cc1cccc(F)c1.
What is the InChIKey of 1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine?
The InChIKey is KTVZOXKZLWTSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-3-4-8-14(16)11-17(2)10-12-6-5-7-13(15)9-12/h5-7,9,14H,3-4,8,10-11,16H2,1-2H3.
What are the key properties of 1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine?
1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-fluorophenyl)methyl]-1-N-methylhexane-1,2-diamine is sourced from PubChem (CID 60852438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).