3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine

C12H18ClNO — CID 95447725

IUPAC3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
SMILESCCOc1cc(C)c(CCCN)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-3-15-12-7-9(2)10(5-4-6-14)8-11(12)13/h7-8H,3-6,14H2,1-2H3
InChIKeyAPLLBKLUJQVIPB-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.94
Rot. Bonds5

About 3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine

3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine (PubChem CID 95447725) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
PubChem CID95447725
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine
SMILESCCOc1cc(C)c(CCCN)cc1Cl
InChIInChI=1S/C12H18ClNO/c1-3-15-12-7-9(2)10(5-4-6-14)8-11(12)13/h7-8H,3-6,14H2,1-2H3
InChIKeyAPLLBKLUJQVIPB-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284469
3-(3-chloro-6-ethoxy-2,4-dimethylphenyl)propan-1-amine
CID 82265297
3-(5-chloro-4-ethoxy-2-methylphenyl)-2,2-dimethylpropan-1-amine
CID 95464648
1-chloro-4-ethoxy-5-(3-fluoropropyl)-2-methylbenzene
CID 83937619
4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)butan-1-amine
CID 83937899
1-(3-bromopropyl)-5-chloro-2-ethoxy-4-methylbenzene
CID 83937584
1-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]-3-propylurea
CID 110775837
N-[2-(5-chloro-4-ethoxy-2-methylphenyl)ethyl]propanamide
CID 110788828
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]propan-1-amine
CID 95455460
1-(5-chloro-2,4-diethoxyphenyl)heptan-4-amine
CID 83943404
3-(5-bromo-4-chloro-2-methylphenyl)propan-1-amine
CID 84807112
5-(3-aminopropyl)-2-chloro-4-methylphenol
CID 84775584

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine (CID 95447725) is 3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine is CCOc1cc(C)c(CCCN)cc1Cl.
What is the InChIKey of 3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine?
The InChIKey is APLLBKLUJQVIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-3-15-12-7-9(2)10(5-4-6-14)8-11(12)13/h7-8H,3-6,14H2,1-2H3.
What are the key properties of 3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine?
3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine has a molecular weight of 227.73 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4-ethoxy-2-methylphenyl)propan-1-amine is sourced from PubChem (CID 95447725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).