2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine

C16H27NO2 — CID 62485131

IUPAC2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
SMILESCCCOc1ccc(OCCCNCC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-4-11-18-15-6-8-16(9-7-15)19-12-5-10-17-13-14(2)3/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeyVLONGICVVFQPLS-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.49
Rot. Bonds10

About 2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine

2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine (PubChem CID 62485131) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
PubChem CID62485131
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
SMILESCCCOc1ccc(OCCCNCC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-4-11-18-15-6-8-16(9-7-15)19-12-5-10-17-13-14(2)3/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeyVLONGICVVFQPLS-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.49
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-[3-(4-bromophenoxy)propyl]-2-methylpropan-1-amine
CID 62455102
4-(4-butylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 115493310
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910
3-methyl-N-[2-(4-propoxyphenoxy)propyl]butan-1-amine
CID 63517499
N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine
CID 62484864
2-methyl-N-[3-(2-phenoxyethoxy)propyl]propan-1-amine
CID 62456357
2-(3-methoxypropylamino)-1-(4-propoxyphenyl)ethanol
CID 82314072
2-(pentylamino)-1-(4-propoxyphenyl)ethanol
CID 82314080
N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62783978
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine (CID 62485131) is 2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine is CCCOc1ccc(OCCCNCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine?
The InChIKey is VLONGICVVFQPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-11-18-15-6-8-16(9-7-15)19-12-5-10-17-13-14(2)3/h6-9,14,17H,4-5,10-13H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine?
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine is sourced from PubChem (CID 62485131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).