1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride

C13H18Cl3NO — CID 170894134

IUPAC1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
SMILESCC(N)Cc1cc(Cl)cc(Cl)c1OCC1CC1.Cl
InChIInChI=1S/C13H17Cl2NO.ClH/c1-8(16)4-10-5-11(14)6-12(15)13(10)17-7-9-2-3-9;/h5-6,8-9H,2-4,7,16H2,1H3;1H
InChIKeyLYDJJCIDHZFKJD-UHFFFAOYSA-N
MW310.65 g/mol
LogP4.09
Rot. Bonds5

About 1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride

1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride (PubChem CID 170894134) has the molecular formula C13H18Cl3NO and a molecular weight of 310.65 g/mol. Its IUPAC name is 1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
PubChem CID170894134
Molecular FormulaC13H18Cl3NO
Molecular Weight310.65 g/mol
Exact Mass309.05
IUPAC Name1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
SMILESCC(N)Cc1cc(Cl)cc(Cl)c1OCC1CC1.Cl
InChIInChI=1S/C13H17Cl2NO.ClH/c1-8(16)4-10-5-11(14)6-12(15)13(10)17-7-9-2-3-9;/h5-6,8-9H,2-4,7,16H2,1H3;1H
InChIKeyLYDJJCIDHZFKJD-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.65
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine
CID 117387846
1-[3-chloro-2-(cyclopropylmethoxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-amine;hydrochloride
CID 170893973
1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 64774236
1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride
CID 170893967
N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine
CID 63499376
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
CID 170889987
1-(bromomethyl)-3,5-dichloro-2-(cyclobutylmethoxy)benzene
CID 65458771
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
CID 61483531
1-[5-butan-2-yl-3-chloro-2-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170889873
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421886

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride?
The IUPAC name of 1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride (CID 170894134) is 1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride is CC(N)Cc1cc(Cl)cc(Cl)c1OCC1CC1.Cl.
What is the InChIKey of 1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride?
The InChIKey is LYDJJCIDHZFKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO.ClH/c1-8(16)4-10-5-11(14)6-12(15)13(10)17-7-9-2-3-9;/h5-6,8-9H,2-4,7,16H2,1H3;1H.
What are the key properties of 1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride?
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride has a molecular weight of 310.65 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 170894134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).