2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine

C19H21Cl2NO — CID 22360897

IUPAC2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine
SMILESNC1(c2ccccc2)CCCCC1OCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H21Cl2NO/c20-16-10-14(11-17(21)12-16)13-23-18-8-4-5-9-19(18,22)15-6-2-1-3-7-15/h1-3,6-7,10-12,18H,4-5,8-9,13,22H2
InChIKeyVNWQBZQBTAKNRW-UHFFFAOYSA-N
MW350.29 g/mol
LogP5.31
Rot. Bonds4

About 2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine

2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine (PubChem CID 22360897) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine
PubChem CID22360897
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine
SMILESNC1(c2ccccc2)CCCCC1OCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H21Cl2NO/c20-16-10-14(11-17(21)12-16)13-23-18-8-4-5-9-19(18,22)15-6-2-1-3-7-15/h1-3,6-7,10-12,18H,4-5,8-9,13,22H2
InChIKeyVNWQBZQBTAKNRW-UHFFFAOYSA-N
XLogP5.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine?
The IUPAC name of 2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine (CID 22360897) is 2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine?
The canonical SMILES for 2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine is NC1(c2ccccc2)CCCCC1OCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine?
The InChIKey is VNWQBZQBTAKNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO/c20-16-10-14(11-17(21)12-16)13-23-18-8-4-5-9-19(18,22)15-6-2-1-3-7-15/h1-3,6-7,10-12,18H,4-5,8-9,13,22H2.
What are the key properties of 2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine?
2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine has a molecular weight of 350.29 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)methoxy]-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 22360897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).