1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine

C15H24ClNO — CID 114208291

IUPAC1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine
SMILESCCC(CC)COC(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C15H24ClNO/c1-4-12(5-2)10-18-15(11(3)17)13-7-6-8-14(16)9-13/h6-9,11-12,15H,4-5,10,17H2,1-3H3
InChIKeyMQJUMSMEFUVDOZ-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.18
Rot. Bonds7

About 1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine

1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine (PubChem CID 114208291) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine
PubChem CID114208291
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine
SMILESCCC(CC)COC(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C15H24ClNO/c1-4-12(5-2)10-18-15(11(3)17)13-7-6-8-14(16)9-13/h6-9,11-12,15H,4-5,10,17H2,1-3H3
InChIKeyMQJUMSMEFUVDOZ-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine
CID 55019946
2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine
CID 114208280
1-(3-chlorophenyl)-1-hexoxypropan-2-amine
CID 55019805
1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine
CID 55019323
1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine
CID 55019758
1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63457460
1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
CID 55019897
1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine
CID 63038314
1-(3-methoxyphenyl)-1-(2-methylpropoxy)propan-2-amine
CID 55017784
1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine
CID 62669709
1-N-butan-2-yl-1-(3-chlorophenyl)-1-N-ethylpropane-1,2-diamine
CID 55019550
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine (CID 114208291) is 1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine is CCC(CC)COC(c1cccc(Cl)c1)C(C)N.
What is the InChIKey of 1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine?
The InChIKey is MQJUMSMEFUVDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-12(5-2)10-18-15(11(3)17)13-7-6-8-14(16)9-13/h6-9,11-12,15H,4-5,10,17H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine?
1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine is sourced from PubChem (CID 114208291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).