(1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine

C16H24ClN — CID 99949065

IUPAC(1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)[C@H]1CC[C@@H](N)[C@@H](Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClN/c1-11(2)13-5-8-16(18)14(10-13)9-12-3-6-15(17)7-4-12/h3-4,6-7,11,13-14,16H,5,8-10,18H2,1-2H3/t13-,14-,16+/m0/s1
InChIKeyFUZAJAHTRAMWEM-OFQRWUPVSA-N
MW265.83 g/mol
LogP4.28
Rot. Bonds3

About (1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine

(1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 99949065) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is (1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name(1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID99949065
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name(1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)[C@H]1CC[C@@H](N)[C@@H](Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClN/c1-11(2)13-5-8-16(18)14(10-13)9-12-3-6-15(17)7-4-12/h3-4,6-7,11,13-14,16H,5,8-10,18H2,1-2H3/t13-,14-,16+/m0/s1
InChIKeyFUZAJAHTRAMWEM-OFQRWUPVSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of (1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 99949065) is (1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for (1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for (1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)[C@H]1CC[C@@H](N)[C@@H](Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is FUZAJAHTRAMWEM-OFQRWUPVSA-N. The full InChI is InChI=1S/C16H24ClN/c1-11(2)13-5-8-16(18)14(10-13)9-12-3-6-15(17)7-4-12/h3-4,6-7,11,13-14,16H,5,8-10,18H2,1-2H3/t13-,14-,16+/m0/s1.
What are the key properties of (1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
(1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 99949065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).