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

C17H27NO — CID 65334608

IUPACN-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)C1CCOCC1
InChIInChI=1S/C17H27NO/c1-2-18-17(16-11-13-19-14-12-16)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,16-18H,2,6,9-14H2,1H3
InChIKeyMFRZXRCZNXKLDC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.41
Rot. Bonds7

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

N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine (PubChem CID 65334608) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine
PubChem CID65334608
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)C1CCOCC1
InChIInChI=1S/C17H27NO/c1-2-18-17(16-11-13-19-14-12-16)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,16-18H,2,6,9-14H2,1H3
InChIKeyMFRZXRCZNXKLDC-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine
CID 65394984
1-(6-bicyclo[3.1.0]hexanyl)-N-ethyl-4-phenylbutan-1-amine
CID 115849575
1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine
CID 63415913
N-ethyl-1-(oxan-4-yl)dodecan-1-amine
CID 115855998
1-cyclopropyl-N-ethyl-2-(3-phenylpropoxy)ethanamine
CID 63908583
1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine
CID 107188459
1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838
N-ethyl-4-methylsulfonyl-1-(oxan-4-yl)butan-1-amine
CID 65334712
N-ethyl-2-naphthalen-1-yl-1-(oxan-4-yl)ethanamine
CID 62905156
N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutan-1-amine
CID 115388037
N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine
CID 115794047
2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride
CID 120782923

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine?
The IUPAC name of N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine (CID 65334608) is N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine is CCNC(CCCc1ccccc1)C1CCOCC1.
What is the InChIKey of N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine?
The InChIKey is MFRZXRCZNXKLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-18-17(16-11-13-19-14-12-16)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,16-18H,2,6,9-14H2,1H3.
What are the key properties of N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine?
N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxan-4-yl)-4-phenylbutan-1-amine is sourced from PubChem (CID 65334608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).