N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine

C14H22ClNO — CID 65022730

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine
SMILESCOc1ccc(CNC(C)CC(C)C)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-10(2)7-11(3)16-9-12-5-6-14(17-4)13(15)8-12/h5-6,8,10-11,16H,7,9H2,1-4H3
InChIKeyOXEYWWPLVGPTQF-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.87
Rot. Bonds6

About N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine

N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine (PubChem CID 65022730) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine
PubChem CID65022730
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine
SMILESCOc1ccc(CNC(C)CC(C)C)cc1Cl
InChIInChI=1S/C14H22ClNO/c1-10(2)7-11(3)16-9-12-5-6-14(17-4)13(15)8-12/h5-6,8,10-11,16H,7,9H2,1-4H3
InChIKeyOXEYWWPLVGPTQF-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254471
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 65022718
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 65022720
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405869
(2S,3S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-3-methylpentanoic acid
CID 120510449
4-[(3-chloro-4-methoxyphenyl)methylamino]butan-2-ol
CID 65021347
N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine
CID 21355577
(2S)-N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 51990395
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354628
N-[(3-chloro-4-methoxyphenyl)methyl]octan-4-amine
CID 106023567
N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
CID 4717032

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine (CID 65022730) is N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine is COc1ccc(CNC(C)CC(C)C)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine?
The InChIKey is OXEYWWPLVGPTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-10(2)7-11(3)16-9-12-5-6-14(17-4)13(15)8-12/h5-6,8,10-11,16H,7,9H2,1-4H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine?
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 65022730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).