2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

C17H25Cl2N — CID 63401107

IUPAC2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H25Cl2N/c1-11(2)13-5-7-17(20-3)14(10-13)8-12-4-6-15(18)16(19)9-12/h4,6,9,11,13-14,17,20H,5,7-8,10H2,1-3H3
InChIKeyZPOZMGSSVYYIFG-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.20
Rot. Bonds4

About 2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine

2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63401107) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID63401107
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H25Cl2N/c1-11(2)13-5-7-17(20-3)14(10-13)8-12-4-6-15(18)16(19)9-12/h4,6,9,11,13-14,17,20H,5,7-8,10H2,1-3H3
InChIKeyZPOZMGSSVYYIFG-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,4-difluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 82920745
2-[(3-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401547
2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62740577
1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025309
2-[(3-bromo-5-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 79703128
2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401772
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 104800080
2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63737915
2-[(3-fluorophenyl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401112
(2S)-1-[(3,4-dichlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 70085346
N-methyl-2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 83158361
2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 55219366

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 63401107) is 2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is ZPOZMGSSVYYIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-11(2)13-5-7-17(20-3)14(10-13)8-12-4-6-15(18)16(19)9-12/h4,6,9,11,13-14,17,20H,5,7-8,10H2,1-3H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine?
2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 314.30 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63401107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).