3-(1-aminopropan-2-yl)-4-methoxyaniline

C10H16N2O — CID 84657534

IUPAC3-(1-aminopropan-2-yl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1C(C)CN
InChIInChI=1S/C10H16N2O/c1-7(6-11)9-5-8(12)3-4-10(9)13-2/h3-5,7H,6,11-12H2,1-2H3
InChIKeyPEBLQTRABKFWPA-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.34
Rot. Bonds3

About 3-(1-aminopropan-2-yl)-4-methoxyaniline

3-(1-aminopropan-2-yl)-4-methoxyaniline (PubChem CID 84657534) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yl)-4-methoxyaniline.

Molecular Properties

Compound Name3-(1-aminopropan-2-yl)-4-methoxyaniline
PubChem CID84657534
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(1-aminopropan-2-yl)-4-methoxyaniline
SMILESCOc1ccc(N)cc1C(C)CN
InChIInChI=1S/C10H16N2O/c1-7(6-11)9-5-8(12)3-4-10(9)13-2/h3-5,7H,6,11-12H2,1-2H3
InChIKeyPEBLQTRABKFWPA-UHFFFAOYSA-N
XLogP1.34
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.34
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

2-[2-methoxy-5-(methoxymethyl)phenyl]propan-1-amine
CID 83884513
2-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681021
3-(5-amino-2-methoxyphenyl)butanoic acid
CID 84676824
2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine
CID 117445044
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
CID 84782781
4-(1-aminopropan-2-yl)-2,5-dimethoxy-N,N-dimethylaniline
CID 117349624
2-(5-bromo-2-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117461435
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117347645
4-(5-amino-2-methoxyphenyl)-3,4-dihydroxybutanenitrile
CID 171901094
4-methoxy-3-propan-2-yloxyaniline
CID 16785912

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-yl)-4-methoxyaniline?
The IUPAC name of 3-(1-aminopropan-2-yl)-4-methoxyaniline (CID 84657534) is 3-(1-aminopropan-2-yl)-4-methoxyaniline.
What is the SMILES notation for 3-(1-aminopropan-2-yl)-4-methoxyaniline?
The canonical SMILES for 3-(1-aminopropan-2-yl)-4-methoxyaniline is COc1ccc(N)cc1C(C)CN.
What is the InChIKey of 3-(1-aminopropan-2-yl)-4-methoxyaniline?
The InChIKey is PEBLQTRABKFWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(6-11)9-5-8(12)3-4-10(9)13-2/h3-5,7H,6,11-12H2,1-2H3.
What are the key properties of 3-(1-aminopropan-2-yl)-4-methoxyaniline?
3-(1-aminopropan-2-yl)-4-methoxyaniline has a molecular weight of 180.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-yl)-4-methoxyaniline is sourced from PubChem (CID 84657534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).