2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine

C16H25FN2 — CID 114831506

IUPAC2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(CN)(Cc1ccccc1F)NC1CCCCC1
InChIInChI=1S/C16H25FN2/c1-16(12-18,19-14-8-3-2-4-9-14)11-13-7-5-6-10-15(13)17/h5-7,10,14,19H,2-4,8-9,11-12,18H2,1H3
InChIKeyKTNPAPXZMRLYHM-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.01
Rot. Bonds5

About 2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine

2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine (PubChem CID 114831506) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
PubChem CID114831506
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(CN)(Cc1ccccc1F)NC1CCCCC1
InChIInChI=1S/C16H25FN2/c1-16(12-18,19-14-8-3-2-4-9-14)11-13-7-5-6-10-15(13)17/h5-7,10,14,19H,2-4,8-9,11-12,18H2,1H3
InChIKeyKTNPAPXZMRLYHM-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831945
2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831552
3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine
CID 114831558
2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831540
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
N-[1-(2-fluorophenyl)propan-2-yl]cycloheptanamine
CID 115592320
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
2-(azepan-2-yl)-1-(2-fluorophenyl)propan-2-ol
CID 114832814
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
2-N-cycloheptyl-4,4-dimethoxy-2-methylbutane-1,2-diamine
CID 66179237
2-(cycloheptylamino)-3-(3-fluorophenyl)-2-methylpropan-1-ol
CID 114834244

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine (CID 114831506) is 2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine is CC(CN)(Cc1ccccc1F)NC1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine?
The InChIKey is KTNPAPXZMRLYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-16(12-18,19-14-8-3-2-4-9-14)11-13-7-5-6-10-15(13)17/h5-7,10,14,19H,2-4,8-9,11-12,18H2,1H3.
What are the key properties of 2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine?
2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 114831506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).