1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine

C15H24ClNO — CID 170891411

IUPAC1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine
SMILESCCOc1c(Cl)cc(C(C)(C)C)cc1CC(C)N
InChIInChI=1S/C15H24ClNO/c1-6-18-14-11(7-10(2)17)8-12(9-13(14)16)15(3,4)5/h8-10H,6-7,17H2,1-5H3
InChIKeyRZDAZOWWWOZSBJ-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.93
Rot. Bonds4

About 1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine

1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine (PubChem CID 170891411) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine
PubChem CID170891411
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine
SMILESCCOc1c(Cl)cc(C(C)(C)C)cc1CC(C)N
InChIInChI=1S/C15H24ClNO/c1-6-18-14-11(7-10(2)17)8-12(9-13(14)16)15(3,4)5/h8-10H,6-7,17H2,1-5H3
InChIKeyRZDAZOWWWOZSBJ-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride
CID 170893991
1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride
CID 170894041
1-(5-tert-butyl-2-ethoxyphenyl)propan-2-amine;hydrochloride
CID 170893780
1-[3-chloro-2-(cyclopropylmethoxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-amine;hydrochloride
CID 170893973
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
5-tert-butyl-3-chloro-2-ethoxybenzaldehyde
CID 99122041
1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421886
1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine
CID 170891416
1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride
CID 170890050
1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
CID 61483531
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine
CID 117387846
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine?
The IUPAC name of 1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine (CID 170891411) is 1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine is CCOc1c(Cl)cc(C(C)(C)C)cc1CC(C)N.
What is the InChIKey of 1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine?
The InChIKey is RZDAZOWWWOZSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-6-18-14-11(7-10(2)17)8-12(9-13(14)16)15(3,4)5/h8-10H,6-7,17H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine?
1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine is sourced from PubChem (CID 170891411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).