1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine

C14H20ClNO — CID 112615652

IUPAC1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(Cl)c1OCCC1CC1
InChIInChI=1S/C14H20ClNO/c1-10(16)9-12-3-2-4-13(15)14(12)17-8-7-11-5-6-11/h2-4,10-11H,5-9,16H2,1H3
InChIKeyNMQUZNCOMKTJLI-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.41
Rot. Bonds6

About 1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine

1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine (PubChem CID 112615652) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine
PubChem CID112615652
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(Cl)c1OCCC1CC1
InChIInChI=1S/C14H20ClNO/c1-10(16)9-12-3-2-4-13(15)14(12)17-8-7-11-5-6-11/h2-4,10-11H,5-9,16H2,1H3
InChIKeyNMQUZNCOMKTJLI-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615570
1-(3-chloro-2-heptoxyphenyl)propan-2-amine
CID 112615606
1-[3-chloro-2-(2-phenylsulfanylethoxy)phenyl]propan-2-amine
CID 115958347
1-(3-chloro-2-hept-6-enoxyphenyl)propan-2-amine
CID 107009951
1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 117352245
1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 115958359
methyl 3-[2-(2-aminopropyl)-6-chlorophenoxy]-2,2-dimethylpropanoate
CID 115958284
2-[1-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]cyclopropyl]acetonitrile
CID 112615677
4-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]benzonitrile
CID 115958311
[2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine
CID 114318452
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 115958397
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine (CID 112615652) is 1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine is CC(N)Cc1cccc(Cl)c1OCCC1CC1.
What is the InChIKey of 1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine?
The InChIKey is NMQUZNCOMKTJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10(16)9-12-3-2-4-13(15)14(12)17-8-7-11-5-6-11/h2-4,10-11H,5-9,16H2,1H3.
What are the key properties of 1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine?
1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine has a molecular weight of 253.77 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(2-cyclopropylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 112615652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).