1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine

C15H25FN2 — CID 55098522

IUPAC1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
SMILESCN(CCC(N)C(C)(C)C)Cc1ccccc1F
InChIInChI=1S/C15H25FN2/c1-15(2,3)14(17)9-10-18(4)11-12-7-5-6-8-13(12)16/h5-8,14H,9-11,17H2,1-4H3
InChIKeySBWWTGZZOQAHGA-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.02
Rot. Bonds5

About 1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine

1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine (PubChem CID 55098522) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
PubChem CID55098522
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
SMILESCN(CCC(N)C(C)(C)C)Cc1ccccc1F
InChIInChI=1S/C15H25FN2/c1-15(2,3)14(17)9-10-18(4)11-12-7-5-6-8-13(12)16/h5-8,14H,9-11,17H2,1-4H3
InChIKeySBWWTGZZOQAHGA-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine
CID 81079897
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
3-amino-4-[(2-fluorophenyl)methyl-methylamino]butan-1-ol
CID 64899213
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 783899
1-N-[(2-fluorophenyl)methyl]-1-N,2-dimethylbutane-1,2-diamine
CID 79811279
5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanethioamide
CID 65259633
1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053079
1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine
CID 81491313

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine?
The IUPAC name of 1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine (CID 55098522) is 1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine is CN(CCC(N)C(C)(C)C)Cc1ccccc1F.
What is the InChIKey of 1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine?
The InChIKey is SBWWTGZZOQAHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-15(2,3)14(17)9-10-18(4)11-12-7-5-6-8-13(12)16/h5-8,14H,9-11,17H2,1-4H3.
What are the key properties of 1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine?
1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine is sourced from PubChem (CID 55098522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).