2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine

C15H23FN2 — CID 115118030

IUPAC2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
SMILESCc1cc(CN(C)C2CCCCC2N)ccc1F
InChIInChI=1S/C15H23FN2/c1-11-9-12(7-8-13(11)16)10-18(2)15-6-4-3-5-14(15)17/h7-9,14-15H,3-6,10,17H2,1-2H3
InChIKeyKLAYPQRTAIBKNC-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.84
Rot. Bonds3

About 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine

2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine (PubChem CID 115118030) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
PubChem CID115118030
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
SMILESCc1cc(CN(C)C2CCCCC2N)ccc1F
InChIInChI=1S/C15H23FN2/c1-11-9-12(7-8-13(11)16)10-18(2)15-6-4-3-5-14(15)17/h7-9,14-15H,3-6,10,17H2,1-2H3
InChIKeyKLAYPQRTAIBKNC-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine
CID 61413397
1-N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117484
2-N-methyl-2-N-[(2,4,6-trimethylphenyl)methyl]cyclohexane-1,2-diamine
CID 102639798
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 115118047
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564
1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine
CID 115117654
2-(aminomethyl)-N-[(4-bromo-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 66478999
N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643681
2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 61422604
1-N-(3H-benzimidazol-5-ylmethyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117527
2-N,2-N-bis[(4-fluorophenyl)methyl]cyclohexane-1,2-diamine
CID 170991026
1-N-methyl-1-N-[(4-propan-2-yloxyphenyl)methyl]cyclopentane-1,2-diamine
CID 115117506

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine (CID 115118030) is 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine is Cc1cc(CN(C)C2CCCCC2N)ccc1F.
What is the InChIKey of 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is KLAYPQRTAIBKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-11-9-12(7-8-13(11)16)10-18(2)15-6-4-3-5-14(15)17/h7-9,14-15H,3-6,10,17H2,1-2H3.
What are the key properties of 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine?
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 250.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 115118030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).