N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine

C19H30ClN — CID 81025338

IUPACN-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(C(C)C)CC1c1ccccc1Cl
InChIInChI=1S/C19H30ClN/c1-13(2)15-9-10-16(12-21-14(3)4)18(11-15)17-7-5-6-8-19(17)20/h5-8,13-16,18,21H,9-12H2,1-4H3
InChIKeyBHRUMSPOAOZUPQ-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.49
Rot. Bonds5

About N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine

N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine (PubChem CID 81025338) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
PubChem CID81025338
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC NameN-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(C(C)C)CC1c1ccccc1Cl
InChIInChI=1S/C19H30ClN/c1-13(2)15-9-10-16(12-21-14(3)4)18(11-15)17-7-5-6-8-19(17)20/h5-8,13-16,18,21H,9-12H2,1-4H3
InChIKeyBHRUMSPOAOZUPQ-UHFFFAOYSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine (CID 81025338) is N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine is CC(C)NCC1CCC(C(C)C)CC1c1ccccc1Cl.
What is the InChIKey of N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
The InChIKey is BHRUMSPOAOZUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-13(2)15-9-10-16(12-21-14(3)4)18(11-15)17-7-5-6-8-19(17)20/h5-8,13-16,18,21H,9-12H2,1-4H3.
What are the key properties of N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine?
N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine has a molecular weight of 307.91 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81025338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).