N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine

C17H27NO — CID 64502031

IUPACN-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine
SMILESCCNC(CCCC1CCOCC1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-2-18-17(16-8-4-3-5-9-16)10-6-7-15-11-13-19-14-12-15/h3-5,8-9,15,17-18H,2,6-7,10-14H2,1H3
InChIKeyBKYJHLUYUUXPJE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.93
Rot. Bonds7

About N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine

N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine (PubChem CID 64502031) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine
PubChem CID64502031
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine
SMILESCCNC(CCCC1CCOCC1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-2-18-17(16-8-4-3-5-9-16)10-6-7-15-11-13-19-14-12-15/h3-5,8-9,15,17-18H,2,6-7,10-14H2,1H3
InChIKeyBKYJHLUYUUXPJE-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine
CID 107137812
N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
2-(2-cyclopropylethoxy)-N-ethyl-1-phenylethanamine
CID 106200509
N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
CID 60920561
N-(2-cyclohexylethyl)-1-phenylhexan-1-amine
CID 63450485
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine
CID 82743525
N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167283
N-ethyl-1-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116627244
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine?
The IUPAC name of N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine (CID 64502031) is N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine.
What is the SMILES notation for N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine?
The canonical SMILES for N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine is CCNC(CCCC1CCOCC1)c1ccccc1.
What is the InChIKey of N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine?
The InChIKey is BKYJHLUYUUXPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-18-17(16-8-4-3-5-9-16)10-6-7-15-11-13-19-14-12-15/h3-5,8-9,15,17-18H,2,6-7,10-14H2,1H3.
What are the key properties of N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine?
N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine is sourced from PubChem (CID 64502031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).