1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine

C18H24N2O — CID 104591312

IUPAC1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cccc(NCC(C)c2ccccc2)c1N
InChIInChI=1S/C18H24N2O/c1-13(2)21-17-11-7-10-16(18(17)19)20-12-14(3)15-8-5-4-6-9-15/h4-11,13-14,20H,12,19H2,1-3H3
InChIKeyFCMBZRRINYZDEW-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.27
Rot. Bonds6

About 1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine

1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine (PubChem CID 104591312) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine
PubChem CID104591312
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cccc(NCC(C)c2ccccc2)c1N
InChIInChI=1S/C18H24N2O/c1-13(2)21-17-11-7-10-16(18(17)19)20-12-14(3)15-8-5-4-6-9-15/h4-11,13-14,20H,12,19H2,1-3H3
InChIKeyFCMBZRRINYZDEW-UHFFFAOYSA-N
XLogP4.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113393307
3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 106007000
2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43221119
4-N-(2-phenylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 104591319
[3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol
CID 107231927
4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine
CID 104591215
1-N-(1-methylsulfinylpropan-2-yl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113486360
[(2S)-2-phenylpropyl]hydrazine
CID 76971638
3-bromo-2-(methoxymethyl)-N-(2-phenylpropyl)aniline
CID 63452270
3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104591278
5-amino-2-(2-phenylpropylamino)benzoic acid
CID 104592149
N-(1-phenylpropyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54831184

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine (CID 104591312) is 1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine is CC(C)Oc1cccc(NCC(C)c2ccccc2)c1N.
What is the InChIKey of 1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is FCMBZRRINYZDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(2)21-17-11-7-10-16(18(17)19)20-12-14(3)15-8-5-4-6-9-15/h4-11,13-14,20H,12,19H2,1-3H3.
What are the key properties of 1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine?
1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 104591312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).