2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine

C18H29FN2 — CID 62708399

IUPAC2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCNC1CCC(C(C)C)CC1N(C)Cc1ccccc1F
InChIInChI=1S/C18H29FN2/c1-13(2)14-9-10-17(20-3)18(11-14)21(4)12-15-7-5-6-8-16(15)19/h5-8,13-14,17-18,20H,9-12H2,1-4H3
InChIKeySZRZDLXUIMTFDQ-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.67
Rot. Bonds5

About 2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine

2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 62708399) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
PubChem CID62708399
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCNC1CCC(C(C)C)CC1N(C)Cc1ccccc1F
InChIInChI=1S/C18H29FN2/c1-13(2)14-9-10-17(20-3)18(11-14)21(4)12-15-7-5-6-8-16(15)19/h5-8,13-14,17-18,20H,9-12H2,1-4H3
InChIKeySZRZDLXUIMTFDQ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine with MolForge

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Related Compounds

1-N,2-N-dimethyl-4-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
CID 62701626
2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63694683
1-N,2-N-dimethyl-2-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 55106006
2-N-cyclopentyl-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62703317
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 66365365
2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65424476
3-[(2-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 64908987
2-[(3,4-difluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 82920745
2-[(3-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401547
2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63737915
2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62708303
3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79631248

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine (CID 62708399) is 2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine is CNC1CCC(C(C)C)CC1N(C)Cc1ccccc1F.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is SZRZDLXUIMTFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-13(2)14-9-10-17(20-3)18(11-14)21(4)12-15-7-5-6-8-16(15)19/h5-8,13-14,17-18,20H,9-12H2,1-4H3.
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine?
2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 292.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluorophenyl)methyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 62708399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).