N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine

C16H27NO — CID 62529307

IUPACN-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine
SMILESCCNCC(CCOc1ccccc1)CC(C)C
InChIInChI=1S/C16H27NO/c1-4-17-13-15(12-14(2)3)10-11-18-16-8-6-5-7-9-16/h5-9,14-15,17H,4,10-13H2,1-3H3
InChIKeyZWZXCBXLLFHCJL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.73
Rot. Bonds9

About N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine

N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine (PubChem CID 62529307) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine
PubChem CID62529307
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine
SMILESCCNCC(CCOc1ccccc1)CC(C)C
InChIInChI=1S/C16H27NO/c1-4-17-13-15(12-14(2)3)10-11-18-16-8-6-5-7-9-16/h5-9,14-15,17H,4,10-13H2,1-3H3
InChIKeyZWZXCBXLLFHCJL-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62530501
N-[4-methyl-2-(2-phenoxyethyl)pentyl]cyclopropanamine
CID 62529112
2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine
CID 62936468
N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426
N-ethyl-6-methyl-1-phenoxyheptan-4-amine
CID 78918808
2-cyclopentyl-N-ethyl-4-phenoxybutan-1-amine
CID 112569843
N-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62528721
[4-(chloromethyl)-6-methylheptoxy]benzene
CID 66033410
4-methyl-N-(3-phenoxypropyl)pentan-2-amine
CID 62380766
2-[2-(3-bromophenoxy)ethyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63497455
N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 62528305
N-ethyl-5-phenoxypentan-1-amine
CID 54394184

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine (CID 62529307) is N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine is CCNCC(CCOc1ccccc1)CC(C)C.
What is the InChIKey of N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine?
The InChIKey is ZWZXCBXLLFHCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-17-13-15(12-14(2)3)10-11-18-16-8-6-5-7-9-16/h5-9,14-15,17H,4,10-13H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine?
N-ethyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.73, 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-2-(2-phenoxyethyl)pentan-1-amine is sourced from PubChem (CID 62529307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).