1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine

C15H25FN2 — CID 115205387

IUPAC1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine
SMILESCc1cc(CN(C)CCCC(C)(C)N)ccc1F
InChIInChI=1S/C15H25FN2/c1-12-10-13(6-7-14(12)16)11-18(4)9-5-8-15(2,3)17/h6-7,10H,5,8-9,11,17H2,1-4H3
InChIKeyMOXGXJQPBOFVPZ-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.08
Rot. Bonds6

About 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine

1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine (PubChem CID 115205387) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine
PubChem CID115205387
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine
SMILESCc1cc(CN(C)CCCC(C)(C)N)ccc1F
InChIInChI=1S/C15H25FN2/c1-12-10-13(6-7-14(12)16)11-18(4)9-5-8-15(2,3)17/h6-7,10H,5,8-9,11,17H2,1-4H3
InChIKeyMOXGXJQPBOFVPZ-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpropan-1-amine
CID 115215694
N-[(4-fluoro-3-methylphenyl)methyl]-N,2,2-trimethylbutane-1,4-diamine
CID 115204487
1-N-[(4-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,3-diamine
CID 64679520
1-N-(4-fluoro-3-methylphenyl)-4-methylpentane-1,4-diamine
CID 115205113
N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 115202640
methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926
3-chloro-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylpropan-1-amine
CID 115215920
1-N,3-dimethyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
CID 115200753
4-amino-N-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpentanamide
CID 115157607
5-(3,4-difluorophenyl)-2-methylpentan-2-amine
CID 116925212
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine
CID 115230062
4-[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]butanoic acid
CID 115218770

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine?
The IUPAC name of 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine (CID 115205387) is 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine.
What is the SMILES notation for 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine?
The canonical SMILES for 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine is Cc1cc(CN(C)CCCC(C)(C)N)ccc1F.
What is the InChIKey of 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine?
The InChIKey is MOXGXJQPBOFVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-12-10-13(6-7-14(12)16)11-18(4)9-5-8-15(2,3)17/h6-7,10H,5,8-9,11,17H2,1-4H3.
What are the key properties of 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine?
1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-fluoro-3-methylphenyl)methyl]-1-N,4-dimethylpentane-1,4-diamine is sourced from PubChem (CID 115205387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).