N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine

C12H18ClNO — CID 78821316

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
SMILESCOc1ccc(Cl)cc1CN(C)C(C)C
InChIInChI=1S/C12H18ClNO/c1-9(2)14(3)8-10-7-11(13)5-6-12(10)15-4/h5-7,9H,8H2,1-4H3
InChIKeyXQNPSYFYKSSDDT-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.19
Rot. Bonds4

About N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine

N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine (PubChem CID 78821316) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
PubChem CID78821316
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine
SMILESCOc1ccc(Cl)cc1CN(C)C(C)C
InChIInChI=1S/C12H18ClNO/c1-9(2)14(3)8-10-7-11(13)5-6-12(10)15-4/h5-7,9H,8H2,1-4H3
InChIKeyXQNPSYFYKSSDDT-UHFFFAOYSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60699813
3-N-[(5-chloro-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225677
1-[(5-chloro-2-methoxyphenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107828
(2S)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 9137098
4-[1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615125
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
(2R)-2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-cyclopropylpropanamide
CID 9136796
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 78820444
N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62592250
4-chloro-2-(fluoromethyl)-1-methoxybenzene
CID 142810663
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
2-bromo-N-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 80691132

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine (CID 78821316) is N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine is COc1ccc(Cl)cc1CN(C)C(C)C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine?
The InChIKey is XQNPSYFYKSSDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9(2)14(3)8-10-7-11(13)5-6-12(10)15-4/h5-7,9H,8H2,1-4H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine has a molecular weight of 227.73 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 78821316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).