2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine

C19H30FN — CID 63401112

IUPAC2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1Cc1cccc(F)c1
InChIInChI=1S/C19H30FN/c1-4-10-21-19-9-8-16(14(2)3)13-17(19)11-15-6-5-7-18(20)12-15/h5-7,12,14,16-17,19,21H,4,8-11,13H2,1-3H3
InChIKeyANRGHEXXSJTFMF-UHFFFAOYSA-N
MW291.45 g/mol
LogP4.81
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine

2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 63401112) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
PubChem CID63401112
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC Name2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1Cc1cccc(F)c1
InChIInChI=1S/C19H30FN/c1-4-10-21-19-9-8-16(14(2)3)13-17(19)11-15-6-5-7-18(20)12-15/h5-7,12,14,16-17,19,21H,4,8-11,13H2,1-3H3
InChIKeyANRGHEXXSJTFMF-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine (CID 63401112) is 2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)C)CC1Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is ANRGHEXXSJTFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-4-10-21-19-9-8-16(14(2)3)13-17(19)11-15-6-5-7-18(20)12-15/h5-7,12,14,16-17,19,21H,4,8-11,13H2,1-3H3.
What are the key properties of 2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine?
2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 291.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63401112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).