1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine

C15H21Cl2NO — CID 103168436

IUPAC1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
SMILESCCOC1CC(CC(N)Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H21Cl2NO/c1-2-19-14-6-10(7-14)5-13(18)8-11-3-4-12(16)9-15(11)17/h3-4,9-10,13-14H,2,5-8,18H2,1H3
InChIKeyRXAFLNZORCTVQF-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.07
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine

1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine (PubChem CID 103168436) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
PubChem CID103168436
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC Name1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
SMILESCCOC1CC(CC(N)Cc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H21Cl2NO/c1-2-19-14-6-10(7-14)5-13(18)8-11-3-4-12(16)9-15(11)17/h3-4,9-10,13-14H,2,5-8,18H2,1H3
InChIKeyRXAFLNZORCTVQF-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine
CID 103169422
[1-(4-bromo-2-chlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170787
1-(3-ethoxycyclobutyl)-3-(furan-2-yl)propan-2-amine
CID 103169378
1-(3-ethoxycyclobutyl)-3-(4-fluorophenyl)propan-2-amine
CID 103164107
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
1-(3-ethoxycyclobutyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168394
1-(3-chloro-4-methylphenyl)-2-(3-ethoxycyclobutyl)ethanamine
CID 107562011
4-amino-3-(4-chlorophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
CID 103167190
[1-(4-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170363
1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine
CID 62600088
1-(2,5-dichlorophenyl)-3-(thian-4-yl)propan-2-amine
CID 105151400
1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163357

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine (CID 103168436) is 1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine is CCOC1CC(CC(N)Cc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine?
The InChIKey is RXAFLNZORCTVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-2-19-14-6-10(7-14)5-13(18)8-11-3-4-12(16)9-15(11)17/h3-4,9-10,13-14H,2,5-8,18H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine?
1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine has a molecular weight of 302.24 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-amine is sourced from PubChem (CID 103168436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).