N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine

C12H18ClNO2 — CID 43410849

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1cc(Cl)ccc1OC
InChIInChI=1S/C12H18ClNO2/c1-9(8-15-2)14-7-10-6-11(13)4-5-12(10)16-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeyTVFDSYLPHGBJRP-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.47
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine

N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine (PubChem CID 43410849) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
PubChem CID43410849
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCc1cc(Cl)ccc1OC
InChIInChI=1S/C12H18ClNO2/c1-9(8-15-2)14-7-10-6-11(13)4-5-12(10)16-3/h4-6,9,14H,7-8H2,1-3H3
InChIKeyTVFDSYLPHGBJRP-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 54955057
1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 79245397
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 63449510
(2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
CID 51690857
1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 65026055
N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 60958211
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methoxybutan-1-amine
CID 114162976
N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine
CID 62117809
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 51990119
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904397

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine (CID 43410849) is N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine is COCC(C)NCc1cc(Cl)ccc1OC.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine?
The InChIKey is TVFDSYLPHGBJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-9(8-15-2)14-7-10-6-11(13)4-5-12(10)16-3/h4-6,9,14H,7-8H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine has a molecular weight of 243.73 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 43410849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).