N-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine

C19H30FN — CID 143051621

IUPACN-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine
SMILESCN(CC1CCCCC1)CC(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C19H30FN/c1-19(2,13-16-9-11-18(20)12-10-16)15-21(3)14-17-7-5-4-6-8-17/h9-12,17H,4-8,13-15H2,1-3H3
InChIKeyWXSAFLPOKAPGJZ-UHFFFAOYSA-N
MW291.45 g/mol
LogP4.91
Rot. Bonds6

About N-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine

N-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 143051621) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine
PubChem CID143051621
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine
SMILESCN(CC1CCCCC1)CC(C)(C)Cc1ccc(F)cc1
InChIInChI=1S/C19H30FN/c1-19(2,13-16-9-11-18(20)12-10-16)15-21(3)14-17-7-5-4-6-8-17/h9-12,17H,4-8,13-15H2,1-3H3
InChIKeyWXSAFLPOKAPGJZ-UHFFFAOYSA-N
XLogP4.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine (CID 143051621) is N-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine is CN(CC1CCCCC1)CC(C)(C)Cc1ccc(F)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is WXSAFLPOKAPGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-19(2,13-16-9-11-18(20)12-10-16)15-21(3)14-17-7-5-4-6-8-17/h9-12,17H,4-8,13-15H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine?
N-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 291.45 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 143051621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).