N-ethyl-4-methyl-1-phenoxyheptan-2-amine

C16H27NO — CID 62715859

IUPACN-ethyl-4-methyl-1-phenoxyheptan-2-amine
SMILESCCCC(C)CC(COc1ccccc1)NCC
InChIInChI=1S/C16H27NO/c1-4-9-14(3)12-15(17-5-2)13-18-16-10-7-6-8-11-16/h6-8,10-11,14-15,17H,4-5,9,12-13H2,1-3H3
InChIKeyIBVAXMUATJKPMH-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.87
Rot. Bonds9

About N-ethyl-4-methyl-1-phenoxyheptan-2-amine

N-ethyl-4-methyl-1-phenoxyheptan-2-amine (PubChem CID 62715859) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-phenoxyheptan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-phenoxyheptan-2-amine
PubChem CID62715859
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-4-methyl-1-phenoxyheptan-2-amine
SMILESCCCC(C)CC(COc1ccccc1)NCC
InChIInChI=1S/C16H27NO/c1-4-9-14(3)12-15(17-5-2)13-18-16-10-7-6-8-11-16/h6-8,10-11,14-15,17H,4-5,9,12-13H2,1-3H3
InChIKeyIBVAXMUATJKPMH-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-phenoxydecan-2-amine
CID 63416219
N-ethyl-1-phenoxyhexadecan-2-amine
CID 24936576
4-ethoxy-N-ethyl-1-phenoxybutan-2-amine
CID 115001987
N-ethyl-5,5,5-trifluoro-1-phenoxypentan-2-amine
CID 64566607
1-(4-chlorophenoxy)-N-ethyl-4-methylhexan-2-amine
CID 105138305
N-ethyl-6-methyl-1-phenoxyheptan-4-amine
CID 78918808
N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine
CID 63474716
5-methyl-1-phenoxyoctan-3-amine
CID 55095717
1-(2-bromophenyl)-N-ethyl-4-methylheptan-2-amine
CID 63419613
2-(benzylamino)-4-methylheptan-1-ol
CID 166670635
1-phenoxy-N-propan-2-ylbutan-2-amine
CID 115905778
N-ethyl-1-(2-methyltetrazol-5-yl)-3-phenoxypropan-2-amine
CID 107048963

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-phenoxyheptan-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-phenoxyheptan-2-amine (CID 62715859) is N-ethyl-4-methyl-1-phenoxyheptan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-phenoxyheptan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-phenoxyheptan-2-amine is CCCC(C)CC(COc1ccccc1)NCC.
What is the InChIKey of N-ethyl-4-methyl-1-phenoxyheptan-2-amine?
The InChIKey is IBVAXMUATJKPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-9-14(3)12-15(17-5-2)13-18-16-10-7-6-8-11-16/h6-8,10-11,14-15,17H,4-5,9,12-13H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-1-phenoxyheptan-2-amine?
N-ethyl-4-methyl-1-phenoxyheptan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-phenoxyheptan-2-amine is sourced from PubChem (CID 62715859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).