N-[2-(4-ethylphenoxy)propyl]pentan-3-amine

C16H27NO — CID 55088068

IUPACN-[2-(4-ethylphenoxy)propyl]pentan-3-amine
SMILESCCc1ccc(OC(C)CNC(CC)CC)cc1
InChIInChI=1S/C16H27NO/c1-5-14-8-10-16(11-9-14)18-13(4)12-17-15(6-2)7-3/h8-11,13,15,17H,5-7,12H2,1-4H3
InChIKeyNHUAKZQDCVCCDG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.79
Rot. Bonds8

About N-[2-(4-ethylphenoxy)propyl]pentan-3-amine

N-[2-(4-ethylphenoxy)propyl]pentan-3-amine (PubChem CID 55088068) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)propyl]pentan-3-amine
PubChem CID55088068
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[2-(4-ethylphenoxy)propyl]pentan-3-amine
SMILESCCc1ccc(OC(C)CNC(CC)CC)cc1
InChIInChI=1S/C16H27NO/c1-5-14-8-10-16(11-9-14)18-13(4)12-17-15(6-2)7-3/h8-11,13,15,17H,5-7,12H2,1-4H3
InChIKeyNHUAKZQDCVCCDG-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenoxy)-N-methylpropan-1-amine
CID 54798642
N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine
CID 94497598
N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine
CID 43756540
N-[2-(4-ethylphenoxy)propyl]-3-methylbutan-1-amine
CID 55088069
N-[2-(4-chloro-3-fluorophenoxy)propyl]pentan-3-amine
CID 82726858
2-(4-ethylphenoxy)pentan-3-amine
CID 16791900
4-ethoxy-N-[2-(4-ethylphenoxy)propyl]aniline
CID 54796515
N-(2-phenoxypropyl)butan-2-amine
CID 54802133
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
methyl 3-(4-ethylphenoxy)butanoate
CID 43535962
3-(4-ethylphenoxy)butanoic acid
CID 43535961
4-(4-ethylphenoxy)pentan-2-one
CID 64698154

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)propyl]pentan-3-amine?
The IUPAC name of N-[2-(4-ethylphenoxy)propyl]pentan-3-amine (CID 55088068) is N-[2-(4-ethylphenoxy)propyl]pentan-3-amine.
What is the SMILES notation for N-[2-(4-ethylphenoxy)propyl]pentan-3-amine?
The canonical SMILES for N-[2-(4-ethylphenoxy)propyl]pentan-3-amine is CCc1ccc(OC(C)CNC(CC)CC)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)propyl]pentan-3-amine?
The InChIKey is NHUAKZQDCVCCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-14-8-10-16(11-9-14)18-13(4)12-17-15(6-2)7-3/h8-11,13,15,17H,5-7,12H2,1-4H3.
What are the key properties of N-[2-(4-ethylphenoxy)propyl]pentan-3-amine?
N-[2-(4-ethylphenoxy)propyl]pentan-3-amine has a molecular weight of 249.40 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenoxy)propyl]pentan-3-amine is sourced from PubChem (CID 55088068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).