3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine

C14H22ClNO — CID 62622768

IUPAC3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
SMILESCCC(N)(Cc1cc(Cl)ccc1OC)C(C)C
InChIInChI=1S/C14H22ClNO/c1-5-14(16,10(2)3)9-11-8-12(15)6-7-13(11)17-4/h6-8,10H,5,9,16H2,1-4H3
InChIKeyUORKWMXVGKIVJO-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.65
Rot. Bonds5

About 3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine

3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine (PubChem CID 62622768) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
PubChem CID62622768
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
SMILESCCC(N)(Cc1cc(Cl)ccc1OC)C(C)C
InChIInChI=1S/C14H22ClNO/c1-5-14(16,10(2)3)9-11-8-12(15)6-7-13(11)17-4/h6-8,10H,5,9,16H2,1-4H3
InChIKeyUORKWMXVGKIVJO-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-amine
CID 62621102
2-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566819
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylpentan-2-ol
CID 65146328
4-chloro-2-(fluoromethyl)-1-methoxybenzene
CID 142810663
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
2-[(5-chloro-2-methoxyphenyl)methyl]-N,2-diethylbutan-1-amine
CID 63507590
1-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenyl)propan-2-amine
CID 62620710
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 79016756
1-(5-chloro-2-methoxyphenyl)-3-ethylpentane-2,3-diol
CID 103449379
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-ol
CID 63562020

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine (CID 62622768) is 3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine is CCC(N)(Cc1cc(Cl)ccc1OC)C(C)C.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine?
The InChIKey is UORKWMXVGKIVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-14(16,10(2)3)9-11-8-12(15)6-7-13(11)17-4/h6-8,10H,5,9,16H2,1-4H3.
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine?
3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine has a molecular weight of 255.79 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine is sourced from PubChem (CID 62622768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).