1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine

C17H29NO2 — CID 43508791

IUPAC1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine
SMILESCOc1ccc(CC(C)NCCCOCC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-14(2)13-20-11-5-10-18-15(3)12-16-6-8-17(19-4)9-7-16/h6-9,14-15,18H,5,10-13H2,1-4H3
InChIKeyBPCBPHCPTGDYOJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.28
Rot. Bonds10

About 1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine

1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine (PubChem CID 43508791) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine
PubChem CID43508791
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine
SMILESCOc1ccc(CC(C)NCCCOCC(C)C)cc1
InChIInChI=1S/C17H29NO2/c1-14(2)13-20-11-5-10-18-15(3)12-16-6-8-17(19-4)9-7-16/h6-9,14-15,18H,5,10-13H2,1-4H3
InChIKeyBPCBPHCPTGDYOJ-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
1-[4-[2-(2-methylpropoxy)ethoxy]phenyl]-N-propylpropan-2-amine
CID 106450542
2-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethoxy]ethanol
CID 43508806
1-(3,4-dimethoxyphenyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 115713699
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine
CID 110185121
3,3,3-trifluoro-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63226596
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
1-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine
CID 43508773
N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine
CID 115705142

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine (CID 43508791) is 1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine is COc1ccc(CC(C)NCCCOCC(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine?
The InChIKey is BPCBPHCPTGDYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(2)13-20-11-5-10-18-15(3)12-16-6-8-17(19-4)9-7-16/h6-9,14-15,18H,5,10-13H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine?
1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine is sourced from PubChem (CID 43508791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).