N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine

C12H17Cl2NO — CID 115655535

IUPACN-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine
SMILESCCOC(C)CNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-3-16-9(2)7-15-8-10-4-5-11(13)12(14)6-10/h4-6,9,15H,3,7-8H2,1-2H3
InChIKeyXUOHDSRTNKCAMA-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.51
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine

N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine (PubChem CID 115655535) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine
PubChem CID115655535
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine
SMILESCCOC(C)CNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-3-16-9(2)7-15-8-10-4-5-11(13)12(14)6-10/h4-6,9,15H,3,7-8H2,1-2H3
InChIKeyXUOHDSRTNKCAMA-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dibromophenyl)methyl]-2-ethoxypropan-1-amine
CID 115693242
N-[(4-bromo-3-methylphenyl)methyl]-2-ethoxypropan-1-amine
CID 115668244
1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17293833
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]propan-1-amine
CID 115655584
2-ethoxy-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 105378678
2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine
CID 115655619
2-ethoxy-N-(1H-indol-5-ylmethyl)propan-1-amine
CID 102911958
2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 115655586
N-[(3,4-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 17206875
N-[(3,4-dichlorophenyl)methyl]-3-ethoxypropan-1-amine
CID 4719417
2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol
CID 115655729
N-[(3-chloro-2-fluorophenyl)methyl]-2-ethoxypropan-1-amine
CID 115696018

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine (CID 115655535) is N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine is CCOC(C)CNCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine?
The InChIKey is XUOHDSRTNKCAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-3-16-9(2)7-15-8-10-4-5-11(13)12(14)6-10/h4-6,9,15H,3,7-8H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine?
N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine has a molecular weight of 262.18 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-ethoxypropan-1-amine is sourced from PubChem (CID 115655535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).