1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine

C14H22ClNO — CID 55019758

IUPAC1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine
SMILESCCC(C)(C)OC(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C14H22ClNO/c1-5-14(3,4)17-13(10(2)16)11-7-6-8-12(15)9-11/h6-10,13H,5,16H2,1-4H3
InChIKeyLVDUUHDMXCRVMA-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.93
Rot. Bonds5

About 1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine

1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine (PubChem CID 55019758) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine
PubChem CID55019758
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine
SMILESCCC(C)(C)OC(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C14H22ClNO/c1-5-14(3,4)17-13(10(2)16)11-7-6-8-12(15)9-11/h6-10,13H,5,16H2,1-4H3
InChIKeyLVDUUHDMXCRVMA-UHFFFAOYSA-N
XLogP3.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine
CID 114208291
1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine
CID 55019946
1-(3-chlorophenyl)-1-hexoxypropan-2-amine
CID 55019805
1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine
CID 55019323
1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
CID 55019897
1-(2-chloro-4-methylphenoxy)-1-(3-chlorophenyl)propan-2-amine
CID 62669709
1-(3-chlorophenyl)-1-(2,3-difluorophenoxy)propan-2-amine
CID 63038314
1-(3-chlorophenoxy)-1-(3-chlorophenyl)butan-2-amine
CID 63457460
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
1-(3-chlorophenyl)-1-(oxan-4-yloxy)propan-2-amine
CID 55019422
1-(3-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 55018073

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine (CID 55019758) is 1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine is CCC(C)(C)OC(c1cccc(Cl)c1)C(C)N.
What is the InChIKey of 1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine?
The InChIKey is LVDUUHDMXCRVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-14(3,4)17-13(10(2)16)11-7-6-8-12(15)9-11/h6-10,13H,5,16H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine?
1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.93, 5 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-methylbutan-2-yloxy)propan-2-amine is sourced from PubChem (CID 55019758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).