N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine

C14H21Cl2N — CID 113287343

IUPACN-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine
SMILESCC(C)CCCCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H21Cl2N/c1-11(2)5-3-4-6-17-10-12-7-13(15)9-14(16)8-12/h7-9,11,17H,3-6,10H2,1-2H3
InChIKeyUESLIBDFVXTNHU-UHFFFAOYSA-N
MW274.23 g/mol
LogP4.91
Rot. Bonds7

About N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine

N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine (PubChem CID 113287343) has the molecular formula C14H21Cl2N and a molecular weight of 274.23 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine
PubChem CID113287343
Molecular FormulaC14H21Cl2N
Molecular Weight274.23 g/mol
Exact Mass273.11
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine
SMILESCC(C)CCCCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H21Cl2N/c1-11(2)5-3-4-6-17-10-12-7-13(15)9-14(16)8-12/h7-9,11,17H,3-6,10H2,1-2H3
InChIKeyUESLIBDFVXTNHU-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 60689891
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CID 91353491
N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60788789
1,3-dichloro-5-(4-methylpentyl)benzene
CID 20672445
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CID 17206859
N-[(3,5-dichlorophenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491413
N-[(3-chloro-4-methylphenyl)methyl]-4-methylpentan-1-amine
CID 106816670
N-[(2-bromo-4-chlorophenyl)methyl]-5-methylhexan-1-amine
CID 115324662
2-[(3,5-dichlorophenyl)methylamino]ethanol
CID 60788804
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-methylhexan-1-amine
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CID 82941583

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine (CID 113287343) is N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine is CC(C)CCCCNCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine?
The InChIKey is UESLIBDFVXTNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N/c1-11(2)5-3-4-6-17-10-12-7-13(15)9-14(16)8-12/h7-9,11,17H,3-6,10H2,1-2H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine?
N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine has a molecular weight of 274.23 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine is sourced from PubChem (CID 113287343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).