N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine

C16H25NO — CID 60688470

IUPACN-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCC1CCCCO1
InChIInChI=1S/C16H25NO/c1-14(10-11-15-7-3-2-4-8-15)17-13-16-9-5-6-12-18-16/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3
InChIKeyRKDLMFMTOXECQZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.17
Rot. Bonds6

About N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine

N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine (PubChem CID 60688470) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
PubChem CID60688470
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCC1CCCCO1
InChIInChI=1S/C16H25NO/c1-14(10-11-15-7-3-2-4-8-15)17-13-16-9-5-6-12-18-16/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3
InChIKeyRKDLMFMTOXECQZ-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703
N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride
CID 17207144
2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine
CID 54940930
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
4-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-ol
CID 106126000
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
2-[(4-phenylbutan-2-ylamino)methyl]cyclohexan-1-one
CID 110176147
2-methyl-1-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111828096
2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one
CID 82100049
1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 103915785
4-cyclopentyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 115705992
N-[(2-methylcyclopropyl)methyl]-4-phenylbutan-2-amine
CID 115676382

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine?
The IUPAC name of N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine (CID 60688470) is N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine is CC(CCc1ccccc1)NCC1CCCCO1.
What is the InChIKey of N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine?
The InChIKey is RKDLMFMTOXECQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14(10-11-15-7-3-2-4-8-15)17-13-16-9-5-6-12-18-16/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3.
What are the key properties of N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine?
N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine is sourced from PubChem (CID 60688470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).