6-[(3-chlorophenyl)methoxy]-2,2-dimethylhexan-1-amine

C15H24ClNO — CID 106708692

IUPAC6-[(3-chlorophenyl)methoxy]-2,2-dimethylhexan-1-amine
SMILESCC(C)(CN)CCCCOCc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-15(2,12-17)8-3-4-9-18-11-13-6-5-7-14(16)10-13/h5-7,10H,3-4,8-9,11-12,17H2,1-2H3
InChIKeyRRHLYQMJZJFYOI-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.01
Rot. Bonds8

About 6-[(3-chlorophenyl)methoxy]-2,2-dimethylhexan-1-amine

6-[(3-chlorophenyl)methoxy]-2,2-dimethylhexan-1-amine (PubChem CID 106708692) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methoxy]-2,2-dimethylhexan-1-amine.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methoxy]-2,2-dimethylhexan-1-amine
PubChem CID106708692
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name6-[(3-chlorophenyl)methoxy]-2,2-dimethylhexan-1-amine
SMILESCC(C)(CN)CCCCOCc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-15(2,12-17)8-3-4-9-18-11-13-6-5-7-14(16)10-13/h5-7,10H,3-4,8-9,11-12,17H2,1-2H3
InChIKeyRRHLYQMJZJFYOI-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-chlorophenyl)methoxy]-2,2-dimethylpentanoic acid
CID 65260329
N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247254
6-[(3-chlorophenyl)methoxy]-N-ethenyl-N-methylhex-1-en-2-amine
CID 168947503
5-(2,5-dichlorophenoxy)-2,2-dimethylpentan-1-amine
CID 65255805
6-ethoxy-2,2-dimethylhexan-1-amine
CID 106708552
4-[(3-chlorophenyl)methoxy]but-2-en-1-amine
CID 77110729
N-[3-[(3-chlorophenyl)methoxy]propyl]cyclopentanamine
CID 65125325
2-methyl-6-phenylmethoxyhexan-2-ol
CID 130681536
(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
CID 65126970
3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine
CID 82825243
4-O-[(3-chlorophenyl)methyl] 1-O-pentyl benzene-1,4-dicarboxylate
CID 91735460
ethane;3-[(3-ethylphenyl)methoxy]propan-1-amine
CID 142365545

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methoxy]-2,2-dimethylhexan-1-amine?
The IUPAC name of 6-[(3-chlorophenyl)methoxy]-2,2-dimethylhexan-1-amine (CID 106708692) is 6-[(3-chlorophenyl)methoxy]-2,2-dimethylhexan-1-amine.
What is the SMILES notation for 6-[(3-chlorophenyl)methoxy]-2,2-dimethylhexan-1-amine?
The canonical SMILES for 6-[(3-chlorophenyl)methoxy]-2,2-dimethylhexan-1-amine is CC(C)(CN)CCCCOCc1cccc(Cl)c1.
What is the InChIKey of 6-[(3-chlorophenyl)methoxy]-2,2-dimethylhexan-1-amine?
The InChIKey is RRHLYQMJZJFYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-15(2,12-17)8-3-4-9-18-11-13-6-5-7-14(16)10-13/h5-7,10H,3-4,8-9,11-12,17H2,1-2H3.
What are the key properties of 6-[(3-chlorophenyl)methoxy]-2,2-dimethylhexan-1-amine?
6-[(3-chlorophenyl)methoxy]-2,2-dimethylhexan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methoxy]-2,2-dimethylhexan-1-amine is sourced from PubChem (CID 106708692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).