N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine

C16H27NO — CID 55195709

IUPACN-[2-(4-ethylphenoxy)ethyl]hexan-1-amine
SMILESCCCCCCNCCOc1ccc(CC)cc1
InChIInChI=1S/C16H27NO/c1-3-5-6-7-12-17-13-14-18-16-10-8-15(4-2)9-11-16/h8-11,17H,3-7,12-14H2,1-2H3
InChIKeyUJHRMSPSHAFGCJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.80
Rot. Bonds10

About N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine

N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine (PubChem CID 55195709) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)ethyl]hexan-1-amine
PubChem CID55195709
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[2-(4-ethylphenoxy)ethyl]hexan-1-amine
SMILESCCCCCCNCCOc1ccc(CC)cc1
InChIInChI=1S/C16H27NO/c1-3-5-6-7-12-17-13-14-18-16-10-8-15(4-2)9-11-16/h8-11,17H,3-7,12-14H2,1-2H3
InChIKeyUJHRMSPSHAFGCJ-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-propylphenoxy)ethyl]pentan-1-amine
CID 63515764
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride
CID 75531601
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]heptan-1-amine
CID 54797456
N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine
CID 115493389
N-[2-(4-ethylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572737
N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797438
N-decyl-3-(4-ethylphenoxy)propanamide
CID 108795844
N-butyl-5-(4-methoxyphenoxy)pentan-1-amine
CID 2248889
N-[2-[4-(4,4,4-trifluoro-3,3-dimethoxybutyl)phenoxy]ethyl]dodecan-1-amine
CID 18319017
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
6-(4-butylphenoxy)-N-ethylhexan-1-amine
CID 115493364

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine?
The IUPAC name of N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine (CID 55195709) is N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine.
What is the SMILES notation for N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine?
The canonical SMILES for N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine is CCCCCCNCCOc1ccc(CC)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine?
The InChIKey is UJHRMSPSHAFGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-5-6-7-12-17-13-14-18-16-10-8-15(4-2)9-11-16/h8-11,17H,3-7,12-14H2,1-2H3.
What are the key properties of N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine?
N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine is sourced from PubChem (CID 55195709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).