N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine

C19H30FN — CID 107128810

IUPACN-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1)C1CCC(C(C)C)CC1
InChIInChI=1S/C19H30FN/c1-5-21-19(17-7-6-14(4)18(20)12-17)16-10-8-15(9-11-16)13(2)3/h6-7,12-13,15-16,19,21H,5,8-11H2,1-4H3
InChIKeyBVOVACYADYPUHK-UHFFFAOYSA-N
MW291.45 g/mol
LogP5.25
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine

N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine (PubChem CID 107128810) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
PubChem CID107128810
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1)C1CCC(C(C)C)CC1
InChIInChI=1S/C19H30FN/c1-5-21-19(17-7-6-14(4)18(20)12-17)16-10-8-15(9-11-16)13(2)3/h6-7,12-13,15-16,19,21H,5,8-11H2,1-4H3
InChIKeyBVOVACYADYPUHK-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64906377
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62791719
1-cyclohexyl-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 54919033
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine
CID 65411811
2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol
CID 115898278
1-(4,4-difluorocyclohexyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130403
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988039
N-[cyclopropyl-[5-(3-fluoro-4-methylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287726
N-[(3-bromo-4-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 79747514
N-[(3,5-dimethylcyclohexyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 64730112

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine (CID 107128810) is N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine is CCNC(c1ccc(C)c(F)c1)C1CCC(C(C)C)CC1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine?
The InChIKey is BVOVACYADYPUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-5-21-19(17-7-6-14(4)18(20)12-17)16-10-8-15(9-11-16)13(2)3/h6-7,12-13,15-16,19,21H,5,8-11H2,1-4H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine?
N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine has a molecular weight of 291.45 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 107128810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).