N-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine

C21H37NO — CID 155249780

IUPACN-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine
SMILESCCCCN(C)CC(OC(C)c1ccccc1)C(CC)CCC
InChIInChI=1S/C21H37NO/c1-6-9-16-22(5)17-21(19(8-3)13-7-2)23-18(4)20-14-11-10-12-15-20/h10-12,14-15,18-19,21H,6-9,13,16-17H2,1-5H3
InChIKeyUBSUJAOUBFPMNH-UHFFFAOYSA-N
MW319.53 g/mol
LogP5.69
Rot. Bonds12

About N-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine

N-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine (PubChem CID 155249780) has the molecular formula C21H37NO and a molecular weight of 319.53 g/mol. Its IUPAC name is N-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine.

Molecular Properties

Compound NameN-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine
PubChem CID155249780
Molecular FormulaC21H37NO
Molecular Weight319.53 g/mol
Exact Mass319.29
IUPAC NameN-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine
SMILESCCCCN(C)CC(OC(C)c1ccccc1)C(CC)CCC
InChIInChI=1S/C21H37NO/c1-6-9-16-22(5)17-21(19(8-3)13-7-2)23-18(4)20-14-11-10-12-15-20/h10-12,14-15,18-19,21H,6-9,13,16-17H2,1-5H3
InChIKeyUBSUJAOUBFPMNH-UHFFFAOYSA-N
XLogP5.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.53
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 139248421
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CID 173025957
[(6R)-7-ethyl-6-methylnonan-4-yl]benzene
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N,3-dimethyl-N-(2-phenylbutyl)butan-1-amine
CID 66612939
(2-methyl-1-propan-2-yloxyhexyl)benzene
CID 118530861
N,N-dibutyl-4,4-diphenylbutan-1-amine
CID 3026479
N,N-dibutylbutan-1-amine;N,N-dimethylaniline
CID 19354348
N-benzhydryl-N-pentan-2-ylpentan-2-amine
CID 175505077
(1-iodo-2-methylpentyl)benzene
CID 174742530
2-amino-N-butyl-N-(1-phenylethyl)pentanamide
CID 119331563
5-methylundecan-6-ylbenzene
CID 173025924

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine?
The IUPAC name of N-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine (CID 155249780) is N-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine.
What is the SMILES notation for N-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine?
The canonical SMILES for N-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine is CCCCN(C)CC(OC(C)c1ccccc1)C(CC)CCC.
What is the InChIKey of N-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine?
The InChIKey is UBSUJAOUBFPMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO/c1-6-9-16-22(5)17-21(19(8-3)13-7-2)23-18(4)20-14-11-10-12-15-20/h10-12,14-15,18-19,21H,6-9,13,16-17H2,1-5H3.
What are the key properties of N-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine?
N-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine has a molecular weight of 319.53 g/mol, XLogP of 5.69, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine is sourced from PubChem (CID 155249780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).