1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine

C16H26ClNO — CID 170891416

IUPAC1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine
SMILESCCCOc1c(Cl)cc(C(C)CC)cc1CC(C)N
InChIInChI=1S/C16H26ClNO/c1-5-7-19-16-14(8-12(4)18)9-13(10-15(16)17)11(3)6-2/h9-12H,5-8,18H2,1-4H3
InChIKeyINOFMLFLQAIJHE-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.53
Rot. Bonds7

About 1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine

1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine (PubChem CID 170891416) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine
PubChem CID170891416
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine
SMILESCCCOc1c(Cl)cc(C(C)CC)cc1CC(C)N
InChIInChI=1S/C16H26ClNO/c1-5-7-19-16-14(8-12(4)18)9-13(10-15(16)17)11(3)6-2/h9-12H,5-8,18H2,1-4H3
InChIKeyINOFMLFLQAIJHE-UHFFFAOYSA-N
XLogP4.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.53
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-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine
CID 170891440
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-[5-butan-2-yl-3-chloro-2-(cyclopropylmethoxy)phenyl]butan-2-amine
CID 170889873
1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968
1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
CID 61483531
1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride
CID 170893967
1-(3-chloro-5-methoxy-4-propoxyphenyl)propan-2-amine
CID 54930877
1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine
CID 170891411
1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421886
1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine
CID 114476284
1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride
CID 170894273

Frequently Asked Questions

What is the IUPAC name of 1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine?
The IUPAC name of 1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine (CID 170891416) is 1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine is CCCOc1c(Cl)cc(C(C)CC)cc1CC(C)N.
What is the InChIKey of 1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine?
The InChIKey is INOFMLFLQAIJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-7-19-16-14(8-12(4)18)9-13(10-15(16)17)11(3)6-2/h9-12H,5-8,18H2,1-4H3.
What are the key properties of 1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine?
1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine has a molecular weight of 283.84 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine is sourced from PubChem (CID 170891416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).