1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine

C18H29FN2 — CID 79061551

IUPAC1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCNC(c1cc(C)ccc1F)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C18H29FN2/c1-13-8-10-18(11-9-13,21(4)5)17(20-3)15-12-14(2)6-7-16(15)19/h6-7,12-13,17,20H,8-11H2,1-5H3
InChIKeyUBRLHFQVDLQFNH-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.91
Rot. Bonds4

About 1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine

1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 79061551) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID79061551
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCNC(c1cc(C)ccc1F)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C18H29FN2/c1-13-8-10-18(11-9-13,21(4)5)17(20-3)15-12-14(2)6-7-16(15)19/h6-7,12-13,17,20H,8-11H2,1-5H3
InChIKeyUBRLHFQVDLQFNH-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 63415562
1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070605
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830046
1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79061537
1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452318
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210
1-(4,4-difluorocyclohexyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105143269
N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine
CID 79074735
[(2-fluoro-5-methylphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210507
1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766426
1-[(2,4-difluorophenyl)-hydrazinylmethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243487
1-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066959

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine (CID 79061551) is 1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine is CNC(c1cc(C)ccc1F)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of 1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is UBRLHFQVDLQFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-13-8-10-18(11-9-13,21(4)5)17(20-3)15-12-14(2)6-7-16(15)19/h6-7,12-13,17,20H,8-11H2,1-5H3.
What are the key properties of 1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79061551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).