1-N-methyl-3-propan-2-ylbenzene-1,2-diamine

C10H16N2 — CID 66917218

IUPAC1-N-methyl-3-propan-2-ylbenzene-1,2-diamine
SMILESCNc1cccc(C(C)C)c1N
InChIInChI=1S/C10H16N2/c1-7(2)8-5-4-6-9(12-3)10(8)11/h4-7,12H,11H2,1-3H3
InChIKeyHFBSPEKVEHHGTB-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.43
Rot. Bonds2

About 1-N-methyl-3-propan-2-ylbenzene-1,2-diamine

1-N-methyl-3-propan-2-ylbenzene-1,2-diamine (PubChem CID 66917218) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-N-methyl-3-propan-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-3-propan-2-ylbenzene-1,2-diamine
PubChem CID66917218
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-N-methyl-3-propan-2-ylbenzene-1,2-diamine
SMILESCNc1cccc(C(C)C)c1N
InChIInChI=1S/C10H16N2/c1-7(2)8-5-4-6-9(12-3)10(8)11/h4-7,12H,11H2,1-3H3
InChIKeyHFBSPEKVEHHGTB-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine
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3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine
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CID 67277083
CID 67277083
3-(difluoromethyl)-N,2-dimethylaniline;ethane
CID 169181895
2-amino-3-(1-hydroxyethyl)phenol
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1-(2,3-diaminophenyl)ethanol
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1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-3-propan-2-ylbenzene-1,2-diamine?
The IUPAC name of 1-N-methyl-3-propan-2-ylbenzene-1,2-diamine (CID 66917218) is 1-N-methyl-3-propan-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-methyl-3-propan-2-ylbenzene-1,2-diamine?
The canonical SMILES for 1-N-methyl-3-propan-2-ylbenzene-1,2-diamine is CNc1cccc(C(C)C)c1N.
What is the InChIKey of 1-N-methyl-3-propan-2-ylbenzene-1,2-diamine?
The InChIKey is HFBSPEKVEHHGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)8-5-4-6-9(12-3)10(8)11/h4-7,12H,11H2,1-3H3.
What are the key properties of 1-N-methyl-3-propan-2-ylbenzene-1,2-diamine?
1-N-methyl-3-propan-2-ylbenzene-1,2-diamine has a molecular weight of 164.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-3-propan-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 66917218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).