N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine

C17H25Cl2NO — CID 63486026

IUPACN-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Cl)cc(Cl)c1OC1CCCCC1
InChIInChI=1S/C17H25Cl2NO/c1-12(2)10-20-11-13-8-14(18)9-16(19)17(13)21-15-6-4-3-5-7-15/h8-9,12,15,20H,3-7,10-11H2,1-2H3
InChIKeyLTUSAXQIMFEVHB-UHFFFAOYSA-N
MW330.30 g/mol
LogP5.45
Rot. Bonds6

About N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine

N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 63486026) has the molecular formula C17H25Cl2NO and a molecular weight of 330.30 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID63486026
Molecular FormulaC17H25Cl2NO
Molecular Weight330.30 g/mol
Exact Mass329.13
IUPAC NameN-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Cl)cc(Cl)c1OC1CCCCC1
InChIInChI=1S/C17H25Cl2NO/c1-12(2)10-20-11-13-8-14(18)9-16(19)17(13)21-15-6-4-3-5-7-15/h8-9,12,15,20H,3-7,10-11H2,1-2H3
InChIKeyLTUSAXQIMFEVHB-UHFFFAOYSA-N
XLogP5.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.30
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine (CID 63486026) is N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(Cl)cc(Cl)c1OC1CCCCC1.
What is the InChIKey of N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is LTUSAXQIMFEVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2NO/c1-12(2)10-20-11-13-8-14(18)9-16(19)17(13)21-15-6-4-3-5-7-15/h8-9,12,15,20H,3-7,10-11H2,1-2H3.
What are the key properties of N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine?
N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 330.30 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-cyclohexyloxyphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63486026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).