2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one;hydrochloride

C19H21Cl2NO — CID 3024648

IUPAC2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one;hydrochloride
SMILESCl.O=C1CCCCC1(NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H20ClNO.ClH/c20-17-11-9-15(10-12-17)14-21-19(13-5-4-8-18(19)22)16-6-2-1-3-7-16;/h1-3,6-7,9-12,21H,4-5,8,13-14H2;1H
InChIKeyREOGGMVDMKUNSB-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.89
Rot. Bonds4

About 2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one;hydrochloride

2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one;hydrochloride (PubChem CID 3024648) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one;hydrochloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one;hydrochloride
PubChem CID3024648
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one;hydrochloride
SMILESCl.O=C1CCCCC1(NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H20ClNO.ClH/c20-17-11-9-15(10-12-17)14-21-19(13-5-4-8-18(19)22)16-6-2-1-3-7-16;/h1-3,6-7,9-12,21H,4-5,8,13-14H2;1H
InChIKeyREOGGMVDMKUNSB-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one;hydrochloride?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one;hydrochloride (CID 3024648) is 2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one;hydrochloride.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one;hydrochloride?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one;hydrochloride is Cl.O=C1CCCCC1(NCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one;hydrochloride?
The InChIKey is REOGGMVDMKUNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO.ClH/c20-17-11-9-15(10-12-17)14-21-19(13-5-4-8-18(19)22)16-6-2-1-3-7-16;/h1-3,6-7,9-12,21H,4-5,8,13-14H2;1H.
What are the key properties of 2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one;hydrochloride?
2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one;hydrochloride has a molecular weight of 350.29 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-2-phenylcyclohexan-1-one;hydrochloride is sourced from PubChem (CID 3024648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).