2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline

C14H24N2O2 — CID 82153268

IUPAC2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline
SMILESCOCCCNCCCc1ccc(OC)c(N)c1
InChIInChI=1S/C14H24N2O2/c1-17-10-4-9-16-8-3-5-12-6-7-14(18-2)13(15)11-12/h6-7,11,16H,3-5,8-10,15H2,1-2H3
InChIKeySEUQYCWVZFAXHO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.84
Rot. Bonds9

About 2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline

2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline (PubChem CID 82153268) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline
PubChem CID82153268
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline
SMILESCOCCCNCCCc1ccc(OC)c(N)c1
InChIInChI=1S/C14H24N2O2/c1-17-10-4-9-16-8-3-5-12-6-7-14(18-2)13(15)11-12/h6-7,11,16H,3-5,8-10,15H2,1-2H3
InChIKeySEUQYCWVZFAXHO-UHFFFAOYSA-N
XLogP1.84
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-methoxy-5-[3-[2-(4-methoxyphenyl)ethylamino]propyl]aniline
CID 94759885
2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethanol
CID 82257349
4-[2-[2-(3-amino-4-methoxyphenyl)ethylamino]ethyl]phenol
CID 82257346
N-[2-(3-amino-4-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82257408
5-[3-(4-butylanilino)propyl]-2-methoxyaniline
CID 94760436
N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305186
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
CID 94759793
2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
CID 82153190
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
3-[3-(3-amino-4-propan-2-yloxyphenyl)propylamino]propan-1-ol
CID 82153236
3-[3-(3-amino-4-methoxyphenyl)propylamino]phenol
CID 82153989

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline?
The IUPAC name of 2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline (CID 82153268) is 2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline.
What is the SMILES notation for 2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline?
The canonical SMILES for 2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline is COCCCNCCCc1ccc(OC)c(N)c1.
What is the InChIKey of 2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline?
The InChIKey is SEUQYCWVZFAXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-17-10-4-9-16-8-3-5-12-6-7-14(18-2)13(15)11-12/h6-7,11,16H,3-5,8-10,15H2,1-2H3.
What are the key properties of 2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline?
2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline has a molecular weight of 252.36 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline is sourced from PubChem (CID 82153268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).