4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine

C14H24N2O — CID 114136517

IUPAC4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
SMILESCc1ccc(NCCCCOC(C)C)c(N)c1
InChIInChI=1S/C14H24N2O/c1-11(2)17-9-5-4-8-16-14-7-6-12(3)10-13(14)15/h6-7,10-11,16H,4-5,8-9,15H2,1-3H3
InChIKeyPMFCEVKHKJHORA-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.19
Rot. Bonds7

About 4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine

4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine (PubChem CID 114136517) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
PubChem CID114136517
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
SMILESCc1ccc(NCCCCOC(C)C)c(N)c1
InChIInChI=1S/C14H24N2O/c1-11(2)17-9-5-4-8-16-14-7-6-12(3)10-13(14)15/h6-7,10-11,16H,4-5,8-9,15H2,1-3H3
InChIKeyPMFCEVKHKJHORA-UHFFFAOYSA-N
XLogP3.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 106006879
4-chloro-5-fluoro-2-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 106006982
1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine
CID 54377265
4-methyl-2-nitro-N-(3-propan-2-yloxypropyl)aniline
CID 133382011
1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine
CID 102694434
3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 106007000
2-chloro-5-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 103768047
5-chloro-2-(4-propan-2-yloxybutylamino)benzenecarbothioamide
CID 106010192
2-amino-4-fluoro-5-(4-propan-2-yloxybutylamino)benzoic acid
CID 106014240
3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine
CID 114137195
4-methyl-1-N-(3-phenylbutyl)benzene-1,2-diamine
CID 62988549
5-methyl-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104762145

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine?
The IUPAC name of 4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine (CID 114136517) is 4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine.
What is the SMILES notation for 4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine?
The canonical SMILES for 4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine is Cc1ccc(NCCCCOC(C)C)c(N)c1.
What is the InChIKey of 4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine?
The InChIKey is PMFCEVKHKJHORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)17-9-5-4-8-16-14-7-6-12(3)10-13(14)15/h6-7,10-11,16H,4-5,8-9,15H2,1-3H3.
What are the key properties of 4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine?
4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine is sourced from PubChem (CID 114136517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).