N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine

C16H27NO2 — CID 65445145

IUPACN-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine
SMILESCCCOCC(CCc1ccc(OC)cc1)NCC
InChIInChI=1S/C16H27NO2/c1-4-12-19-13-15(17-5-2)9-6-14-7-10-16(18-3)11-8-14/h7-8,10-11,15,17H,4-6,9,12-13H2,1-3H3
InChIKeyDMNNHHWZOPIZAX-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.03
Rot. Bonds10

About N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine

N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine (PubChem CID 65445145) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine
PubChem CID65445145
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine
SMILESCCCOCC(CCc1ccc(OC)cc1)NCC
InChIInChI=1S/C16H27NO2/c1-4-12-19-13-15(17-5-2)9-6-14-7-10-16(18-3)11-8-14/h7-8,10-11,15,17H,4-6,9,12-13H2,1-3H3
InChIKeyDMNNHHWZOPIZAX-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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

1-ethoxy-N-ethyl-5-(4-methoxyphenyl)pentan-3-amine
CID 105152339
4-(4-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165398
N-ethyl-4-(4-methoxyphenyl)-1-propan-2-ylsulfanylbutan-2-amine
CID 65445532
N-ethyl-1-(2-phenylethoxy)pentan-2-amine
CID 114999655
N-ethyl-1-propoxy-4-thiophen-2-ylbutan-2-amine
CID 63775940
N-ethyl-1-propoxytridecan-2-amine
CID 105008579
4-(4-methoxyphenyl)-1-methylsulfonyl-N-propylbutan-2-amine
CID 115648572
1-(4-methoxyphenyl)pentan-3-ylhydrazine
CID 105200937
N-ethyl-4-(4-methoxyphenyl)-1-(2-methyltetrazol-5-yl)butan-2-amine
CID 107065191
ethane;1-methoxy-4-propylbenzene
CID 142085762
N-ethyl-5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
CID 105005455
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine
CID 55094003

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine?
The IUPAC name of N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine (CID 65445145) is N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine.
What is the SMILES notation for N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine?
The canonical SMILES for N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine is CCCOCC(CCc1ccc(OC)cc1)NCC.
What is the InChIKey of N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine?
The InChIKey is DMNNHHWZOPIZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-12-19-13-15(17-5-2)9-6-14-7-10-16(18-3)11-8-14/h7-8,10-11,15,17H,4-6,9,12-13H2,1-3H3.
What are the key properties of N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine?
N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methoxyphenyl)-1-propoxybutan-2-amine is sourced from PubChem (CID 65445145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).