3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine

C15H24ClNO — CID 81022246

IUPAC3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOc1ccc(Cl)cc1C(C)(C)CCNC(C)C
InChIInChI=1S/C15H24ClNO/c1-11(2)17-9-8-15(3,4)13-10-12(16)6-7-14(13)18-5/h6-7,10-11,17H,8-9H2,1-5H3
InChIKeyMZZFZLLYAIKPBF-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.01
Rot. Bonds6

About 3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine

3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 81022246) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID81022246
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOc1ccc(Cl)cc1C(C)(C)CCNC(C)C
InChIInChI=1S/C15H24ClNO/c1-11(2)17-9-8-15(3,4)13-10-12(16)6-7-14(13)18-5/h6-7,10-11,17H,8-9H2,1-5H3
InChIKeyMZZFZLLYAIKPBF-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81033129
3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830945
3-(2-fluoro-4,5-dimethoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830315
2-(5-chloro-2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002672
2-(5-fluoro-2-methoxyphenyl)-4-(propan-2-ylamino)butan-2-ol
CID 82782509
1-(5-chloro-2-methoxyphenyl)-3-(propan-2-ylamino)propan-1-one
CID 94271591
3-(2,5-dimethoxyphenyl)-N,3-dimethylbutan-1-amine
CID 79831012
2-(5-chloro-2-methoxyphenyl)propane-2-thiol
CID 116866548
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
3-[(5-chloro-2-methoxyphenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 55065296
3-(4-methoxy-1-methylindol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 107360517
3-methyl-N-propan-2-yl-3-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350468

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine (CID 81022246) is 3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine is COc1ccc(Cl)cc1C(C)(C)CCNC(C)C.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is MZZFZLLYAIKPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-11(2)17-9-8-15(3,4)13-10-12(16)6-7-14(13)18-5/h6-7,10-11,17H,8-9H2,1-5H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine?
3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81022246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).