N-ethyl-1-(4-hexoxyphenyl)propan-1-amine

C17H29NO — CID 43280119

IUPACN-ethyl-1-(4-hexoxyphenyl)propan-1-amine
SMILESCCCCCCOc1ccc(C(CC)NCC)cc1
InChIInChI=1S/C17H29NO/c1-4-7-8-9-14-19-16-12-10-15(11-13-16)17(5-2)18-6-3/h10-13,17-18H,4-9,14H2,1-3H3
InChIKeyIRZXQLSJTFZJKD-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.71
Rot. Bonds10

About N-ethyl-1-(4-hexoxyphenyl)propan-1-amine

N-ethyl-1-(4-hexoxyphenyl)propan-1-amine (PubChem CID 43280119) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-1-(4-hexoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-hexoxyphenyl)propan-1-amine
PubChem CID43280119
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-ethyl-1-(4-hexoxyphenyl)propan-1-amine
SMILESCCCCCCOc1ccc(C(CC)NCC)cc1
InChIInChI=1S/C17H29NO/c1-4-7-8-9-14-19-16-12-10-15(11-13-16)17(5-2)18-6-3/h10-13,17-18H,4-9,14H2,1-3H3
InChIKeyIRZXQLSJTFZJKD-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.71
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

1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
1-(4-pentoxyphenyl)-N-propylpropan-1-amine
CID 43280171
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274
N-ethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 79405246
1-(4-hexoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propan-1-amine
CID 54807525
N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine
CID 54936865
N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine
CID 43280157
1-(4-butoxyphenyl)-N-ethylpent-3-yn-1-amine
CID 105111943
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
3-[4-[1-(ethylamino)propyl]phenoxy]propanamide
CID 43280110
1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine
CID 107006087

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-hexoxyphenyl)propan-1-amine?
The IUPAC name of N-ethyl-1-(4-hexoxyphenyl)propan-1-amine (CID 43280119) is N-ethyl-1-(4-hexoxyphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-hexoxyphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(4-hexoxyphenyl)propan-1-amine is CCCCCCOc1ccc(C(CC)NCC)cc1.
What is the InChIKey of N-ethyl-1-(4-hexoxyphenyl)propan-1-amine?
The InChIKey is IRZXQLSJTFZJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-7-8-9-14-19-16-12-10-15(11-13-16)17(5-2)18-6-3/h10-13,17-18H,4-9,14H2,1-3H3.
What are the key properties of N-ethyl-1-(4-hexoxyphenyl)propan-1-amine?
N-ethyl-1-(4-hexoxyphenyl)propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-hexoxyphenyl)propan-1-amine is sourced from PubChem (CID 43280119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).