1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine;hydrochloride

C10H14Cl3NO — CID 112756609

IUPAC1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine;hydrochloride
SMILESCOCCC(N)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C10H13Cl2NO.ClH/c1-14-5-4-10(13)7-2-3-8(11)9(12)6-7;/h2-3,6,10H,4-5,13H2,1H3;1H
InChIKeyOAXBWDOISOVERG-UHFFFAOYSA-N
MW270.59 g/mol
LogP3.45
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine;hydrochloride

1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine;hydrochloride (PubChem CID 112756609) has the molecular formula C10H14Cl3NO and a molecular weight of 270.59 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine;hydrochloride
PubChem CID112756609
Molecular FormulaC10H14Cl3NO
Molecular Weight270.59 g/mol
Exact Mass269.01
IUPAC Name1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine;hydrochloride
SMILESCOCCC(N)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C10H13Cl2NO.ClH/c1-14-5-4-10(13)7-2-3-8(11)9(12)6-7;/h2-3,6,10H,4-5,13H2,1H3;1H
InChIKeyOAXBWDOISOVERG-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

D-103 (FDA NDC: 58264-0109)
CID 11957540
3,4-Dichloro-alpha-methylbenzeneethanamine
CID 17535
(+/-)-threo-3'',4''-Dichlororitalinol methyl ether
CID 52942344
2,3-Dichloro-alpha-methylbenzylamine
CID 1215
Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1)
CID 201553
3-Amino-3-(3-chlorophenyl)propan-1-ol
CID 5238060
(3S)-3-amino-3-(4-chlorophenyl)propan-1-ol
CID 25418153
(S)-1-(2,3-Dichlorophenyl)ethan-1-amine
CID 6603802
3-Amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
1-(4-Chlorophenyl)-2-methoxyethan-1-amine
CID 61552840
(S)-1-(3,4-Dichlorophenyl)ethanamine
CID 793512
(R)-1-(3,4-dichlorophenyl)ethanamine
CID 793515

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine;hydrochloride (CID 112756609) is 1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine;hydrochloride is COCCC(N)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine;hydrochloride?
The InChIKey is OAXBWDOISOVERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO.ClH/c1-14-5-4-10(13)7-2-3-8(11)9(12)6-7;/h2-3,6,10H,4-5,13H2,1H3;1H.
What are the key properties of 1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine;hydrochloride?
1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine;hydrochloride has a molecular weight of 270.59 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-methoxypropan-1-amine;hydrochloride is sourced from PubChem (CID 112756609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).