2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine

C16H26ClNO — CID 62515635

IUPAC2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine
SMILESCOCCC(CNCC(C)C)Cc1ccccc1Cl
InChIInChI=1S/C16H26ClNO/c1-13(2)11-18-12-14(8-9-19-3)10-15-6-4-5-7-16(15)17/h4-7,13-14,18H,8-12H2,1-3H3
InChIKeyFTPWZPJISXJBAX-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.78
Rot. Bonds9

About 2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine

2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine (PubChem CID 62515635) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine
PubChem CID62515635
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine
SMILESCOCCC(CNCC(C)C)Cc1ccccc1Cl
InChIInChI=1S/C16H26ClNO/c1-13(2)11-18-12-14(8-9-19-3)10-15-6-4-5-7-16(15)17/h4-7,13-14,18H,8-12H2,1-3H3
InChIKeyFTPWZPJISXJBAX-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl]-6-methyl-N-(2-methylpropyl)heptan-1-amine
CID 83148905
2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62530667
[1-(2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206395
1-chloro-2-[2-(chloromethyl)-5-methoxy-3-methylpentyl]benzene
CID 116500298
2-[(2-chlorophenyl)methyl]-5-methoxy-3-methylpentan-1-ol
CID 116500248
2-[(2,3-dichlorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 107309735
2-[(2-chlorophenyl)methyl]-6-methyl-N-propan-2-ylheptan-1-amine
CID 83169774
2-[(2-chlorophenyl)methyl]-4-(2-methylpropoxy)butan-1-ol
CID 106459475
N-tert-butyl-2-[(2-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 62515455
2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63498326
N-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
CID 83148264
2-[(2-chlorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62514759

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine (CID 62515635) is 2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine is COCCC(CNCC(C)C)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine?
The InChIKey is FTPWZPJISXJBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-13(2)11-18-12-14(8-9-19-3)10-15-6-4-5-7-16(15)17/h4-7,13-14,18H,8-12H2,1-3H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine?
2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4-methoxy-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62515635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).