2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine

C15H24ClNO — CID 104649236

IUPAC2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine
SMILESCNCC(CCCCOC)Cc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-17-12-14(6-3-4-9-18-2)10-13-7-5-8-15(16)11-13/h5,7-8,11,14,17H,3-4,6,9-10,12H2,1-2H3
InChIKeyOSYDYBCGZKETKM-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.53
Rot. Bonds9

About 2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine

2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine (PubChem CID 104649236) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine
PubChem CID104649236
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine
SMILESCNCC(CCCCOC)Cc1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-17-12-14(6-3-4-9-18-2)10-13-7-5-8-15(16)11-13/h5,7-8,11,14,17H,3-4,6,9-10,12H2,1-2H3
InChIKeyOSYDYBCGZKETKM-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.53
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

2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 62514731
1-[2-(bromomethyl)-5-methoxypentyl]-3-chlorobenzene
CID 66040719
2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine
CID 63522633
2-[(3-chlorophenyl)methyl]-5-ethoxy-N-(2-methoxyethyl)pentan-1-amine
CID 65178041
2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine
CID 63522273
2-[(3-chlorophenyl)methyl]-4-methoxybutan-1-ol
CID 66057400
1-(3-chlorophenyl)-5-methoxypentan-2-ol
CID 62608166
2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine
CID 63522254
5-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpentan-1-amine
CID 62516781
2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine
CID 103984352
2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine
CID 104649208
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine (CID 104649236) is 2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine is CNCC(CCCCOC)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine?
The InChIKey is OSYDYBCGZKETKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-17-12-14(6-3-4-9-18-2)10-13-7-5-8-15(16)11-13/h5,7-8,11,14,17H,3-4,6,9-10,12H2,1-2H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine?
2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine is sourced from PubChem (CID 104649236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).