2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol

C24H32BrNO — CID 10274281

IUPAC2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol
SMILESCN(C)C(c1ccccc1Br)C1CCCCC1(O)CCCc1ccccc1
InChIInChI=1S/C24H32BrNO/c1-26(2)23(20-14-6-7-16-22(20)25)21-15-8-9-17-24(21,27)18-10-13-19-11-4-3-5-12-19/h3-7,11-12,14,16,21,23,27H,8-10,13,15,17-18H2,1-2H3
InChIKeyUNYLZCJFVKRHDU-UHFFFAOYSA-N
MW430.43 g/mol
LogP6.00
Rot. Bonds7

About 2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol

2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol (PubChem CID 10274281) has the molecular formula C24H32BrNO and a molecular weight of 430.43 g/mol. Its IUPAC name is 2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol
PubChem CID10274281
Molecular FormulaC24H32BrNO
Molecular Weight430.43 g/mol
Exact Mass429.17
IUPAC Name2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol
SMILESCN(C)C(c1ccccc1Br)C1CCCCC1(O)CCCc1ccccc1
InChIInChI=1S/C24H32BrNO/c1-26(2)23(20-14-6-7-16-22(20)25)21-15-8-9-17-24(21,27)18-10-13-19-11-4-3-5-12-19/h3-7,11-12,14,16,21,23,27H,8-10,13,15,17-18H2,1-2H3
InChIKeyUNYLZCJFVKRHDU-UHFFFAOYSA-N
XLogP6.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.43
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol?
The IUPAC name of 2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol (CID 10274281) is 2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol?
The canonical SMILES for 2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol is CN(C)C(c1ccccc1Br)C1CCCCC1(O)CCCc1ccccc1.
What is the InChIKey of 2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol?
The InChIKey is UNYLZCJFVKRHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrNO/c1-26(2)23(20-14-6-7-16-22(20)25)21-15-8-9-17-24(21,27)18-10-13-19-11-4-3-5-12-19/h3-7,11-12,14,16,21,23,27H,8-10,13,15,17-18H2,1-2H3.
What are the key properties of 2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol?
2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol has a molecular weight of 430.43 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)-(dimethylamino)methyl]-1-(3-phenylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 10274281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).