3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine

C14H23N — CID 59138114

IUPAC3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine
SMILESCc1c(C)c(C)c(CCCN)c(C)c1C
InChIInChI=1S/C14H23N/c1-9-10(2)12(4)14(7-6-8-15)13(5)11(9)3/h6-8,15H2,1-5H3
InChIKeyKWDSJQZMSYWIFG-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.12
Rot. Bonds3

About 3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine

3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine (PubChem CID 59138114) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine
PubChem CID59138114
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine
SMILESCc1c(C)c(C)c(CCCN)c(C)c1C
InChIInChI=1S/C14H23N/c1-9-10(2)12(4)14(7-6-8-15)13(5)11(9)3/h6-8,15H2,1-5H3
InChIKeyKWDSJQZMSYWIFG-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3,4,5,6-pentamethylphenyl)ethanamine;hydrochloride
CID 2806687
3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine
CID 84775331
4-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 65300958
6-(2,3,5,6-tetramethylphenyl)hexan-1-amine
CID 65300906
3-(5-bromo-2,4-dimethylfuran-3-yl)propan-1-amine
CID 83895022
3-(3,5-difluoro-4-methylphenyl)propan-1-amine
CID 117280226
hexane-1,6-diamine;methanamine
CID 174275715
3-(2-chloro-3,6-dimethylphenyl)propan-1-amine
CID 84774719
2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol
CID 84774420
1,4-bis(2-chloroethyl)-2,3,5,6-tetramethylbenzene
CID 91872066
3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine
CID 117307547
3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol
CID 117398513

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine?
The IUPAC name of 3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine (CID 59138114) is 3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine is Cc1c(C)c(C)c(CCCN)c(C)c1C.
What is the InChIKey of 3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine?
The InChIKey is KWDSJQZMSYWIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-9-10(2)12(4)14(7-6-8-15)13(5)11(9)3/h6-8,15H2,1-5H3.
What are the key properties of 3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine?
3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine is sourced from PubChem (CID 59138114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).