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

C14H22ClNO — CID 55019946

IUPAC1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine
SMILESCC(C)CCOC(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C14H22ClNO/c1-10(2)7-8-17-14(11(3)16)12-5-4-6-13(15)9-12/h4-6,9-11,14H,7-8,16H2,1-3H3
InChIKeyMTDBHZBZEPUKAI-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.79
Rot. Bonds6

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

1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine (PubChem CID 55019946) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine
PubChem CID55019946
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine
SMILESCC(C)CCOC(c1cccc(Cl)c1)C(C)N
InChIInChI=1S/C14H22ClNO/c1-10(2)7-8-17-14(11(3)16)12-5-4-6-13(15)9-12/h4-6,9-11,14H,7-8,16H2,1-3H3
InChIKeyMTDBHZBZEPUKAI-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-(3-methoxypropoxy)propan-2-amine
CID 55019323
1-(3-chlorophenyl)-1-hexoxypropan-2-amine
CID 55019805
1-(3-chlorophenyl)-1-(2-ethylbutoxy)propan-2-amine
CID 114208291
1-(3-methoxyphenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55018121
(1S)-1-(3-chlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219117
1-(3-chlorophenyl)-1-(2-methylbutan-2-yloxy)propan-2-amine
CID 55019758
1-(3-chlorophenyl)-1-(4-methylphenoxy)propan-2-amine
CID 55019897
1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine
CID 55020209
2-(3-methylbutoxy)-1,2-diphenylethanamine
CID 43104834
1-(3-methylphenyl)-1-(2-propan-2-yloxyethoxy)propan-2-amine
CID 55020762
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine (CID 55019946) is 1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine is CC(C)CCOC(c1cccc(Cl)c1)C(C)N.
What is the InChIKey of 1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine?
The InChIKey is MTDBHZBZEPUKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-10(2)7-8-17-14(11(3)16)12-5-4-6-13(15)9-12/h4-6,9-11,14H,7-8,16H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine?
1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine is sourced from PubChem (CID 55019946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).