1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine

C14H20ClNO — CID 117387846

IUPAC1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine
SMILESCc1cc(Cl)c(OCC2CC2)c(CC(C)N)c1
InChIInChI=1S/C14H20ClNO/c1-9-5-12(7-10(2)16)14(13(15)6-9)17-8-11-3-4-11/h5-6,10-11H,3-4,7-8,16H2,1-2H3
InChIKeyQQIRBNHUUNOMCV-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.33
Rot. Bonds5

About 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine

1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine (PubChem CID 117387846) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine
PubChem CID117387846
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine
SMILESCc1cc(Cl)c(OCC2CC2)c(CC(C)N)c1
InChIInChI=1S/C14H20ClNO/c1-9-5-12(7-10(2)16)14(13(15)6-9)17-8-11-3-4-11/h5-6,10-11H,3-4,7-8,16H2,1-2H3
InChIKeyQQIRBNHUUNOMCV-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine 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-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
1-[3-chloro-2-(cyclopropylmethoxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-amine;hydrochloride
CID 170893973
3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117425357
1-[5-butan-2-yl-3-chloro-2-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170889873
1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride
CID 170893967
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
CID 170889987
1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
CID 65459757
1-[4-(cyclopropylmethoxy)-2,3-dimethylphenyl]propan-2-amine
CID 170891556
1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine
CID 170863792
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone
CID 84700906
1-[4-(cyclopropylmethoxy)-2-methyl-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894108
3-chloro-2-(cyclobutylmethoxy)-5-methylphenol
CID 84690826

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine?
The IUPAC name of 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine (CID 117387846) is 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine is Cc1cc(Cl)c(OCC2CC2)c(CC(C)N)c1.
What is the InChIKey of 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine?
The InChIKey is QQIRBNHUUNOMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9-5-12(7-10(2)16)14(13(15)6-9)17-8-11-3-4-11/h5-6,10-11H,3-4,7-8,16H2,1-2H3.
What are the key properties of 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine?
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine has a molecular weight of 253.77 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine is sourced from PubChem (CID 117387846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).