4-[(1S)-1-aminopropyl]-3-methoxyaniline

C10H16N2O — CID 130731352

IUPAC4-[(1S)-1-aminopropyl]-3-methoxyaniline
SMILESCC[C@H](N)c1ccc(N)cc1OC
InChIInChI=1S/C10H16N2O/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6,9H,3,11-12H2,1-2H3/t9-/m0/s1
InChIKeyUSMWZIYQYOFOLO-VIFPVBQESA-N
MW180.25 g/mol
LogP1.69
Rot. Bonds3

About 4-[(1S)-1-aminopropyl]-3-methoxyaniline

4-[(1S)-1-aminopropyl]-3-methoxyaniline (PubChem CID 130731352) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-[(1S)-1-aminopropyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-[(1S)-1-aminopropyl]-3-methoxyaniline
PubChem CID130731352
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-[(1S)-1-aminopropyl]-3-methoxyaniline
SMILESCC[C@H](N)c1ccc(N)cc1OC
InChIInChI=1S/C10H16N2O/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6,9H,3,11-12H2,1-2H3/t9-/m0/s1
InChIKeyUSMWZIYQYOFOLO-VIFPVBQESA-N
XLogP1.69
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 ≤ 51.69
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

(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804
1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 167530945
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
5-amino-2-[(1R)-1-aminopropyl]phenol
CID 130738459
4-[(1R)-1-aminopropyl]-3-bromoaniline
CID 131173181
1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol
CID 130000790
3-(1-aminopropyl)-4-methylaniline
CID 130000361
4-[(4-amino-2-methoxyphenyl)-[4-[4-[bis(4-amino-2-methoxyphenyl)methyl]phenyl]phenyl]methyl]-3-methoxyaniline
CID 146642834
1-(3-methoxy-4-pyridinyl)propan-1-amine
CID 105065142
(1R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 175942347
2-(4-amino-2-methoxyphenyl)propanoic acid
CID 141079881
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminopropyl]-3-methoxyaniline?
The IUPAC name of 4-[(1S)-1-aminopropyl]-3-methoxyaniline (CID 130731352) is 4-[(1S)-1-aminopropyl]-3-methoxyaniline.
What is the SMILES notation for 4-[(1S)-1-aminopropyl]-3-methoxyaniline?
The canonical SMILES for 4-[(1S)-1-aminopropyl]-3-methoxyaniline is CC[C@H](N)c1ccc(N)cc1OC.
What is the InChIKey of 4-[(1S)-1-aminopropyl]-3-methoxyaniline?
The InChIKey is USMWZIYQYOFOLO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6,9H,3,11-12H2,1-2H3/t9-/m0/s1.
What are the key properties of 4-[(1S)-1-aminopropyl]-3-methoxyaniline?
4-[(1S)-1-aminopropyl]-3-methoxyaniline has a molecular weight of 180.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-aminopropyl]-3-methoxyaniline is sourced from PubChem (CID 130731352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).