2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine

C17H28ClNO — CID 104649208

IUPAC2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine
SMILESCOCCCCC(CNC(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H28ClNO/c1-14(2)19-13-16(6-4-5-11-20-3)12-15-7-9-17(18)10-8-15/h7-10,14,16,19H,4-6,11-13H2,1-3H3
InChIKeyXWTKNZKTYQQYCV-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.31
Rot. Bonds10

About 2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine

2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine (PubChem CID 104649208) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine
PubChem CID104649208
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine
SMILESCOCCCCC(CNC(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H28ClNO/c1-14(2)19-13-16(6-4-5-11-20-3)12-15-7-9-17(18)10-8-15/h7-10,14,16,19H,4-6,11-13H2,1-3H3
InChIKeyXWTKNZKTYQQYCV-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.31
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-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine
CID 55135216
2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine
CID 63520826
2-[(4-chlorophenyl)methyl]-N-propan-2-ylnonan-1-amine
CID 63523502
2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324
2-[(4-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 55083300
N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 62515917
N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine
CID 103910375
2-[(4-chlorophenyl)methyl]-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine
CID 62515746
6-methoxy-2-[(2-methoxyphenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 104649283
2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
CID 106323200
2-[(4-chlorophenyl)methyl]-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617633
N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 104649192

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine (CID 104649208) is 2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine is COCCCCC(CNC(C)C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine?
The InChIKey is XWTKNZKTYQQYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-14(2)19-13-16(6-4-5-11-20-3)12-15-7-9-17(18)10-8-15/h7-10,14,16,19H,4-6,11-13H2,1-3H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine?
2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 104649208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).