N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine

C16H25NO — CID 62986615

IUPACN-(oxan-4-ylmethyl)-3-phenylbutan-1-amine
SMILESCC(CCNCC1CCOCC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-14(16-5-3-2-4-6-16)7-10-17-13-15-8-11-18-12-9-15/h2-6,14-15,17H,7-13H2,1H3
InChIKeyWZJWXMIZSCBJHM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.20
Rot. Bonds6

About N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine

N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine (PubChem CID 62986615) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-3-phenylbutan-1-amine
PubChem CID62986615
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(oxan-4-ylmethyl)-3-phenylbutan-1-amine
SMILESCC(CCNCC1CCOCC1)c1ccccc1
InChIInChI=1S/C16H25NO/c1-14(16-5-3-2-4-6-16)7-10-17-13-15-8-11-18-12-9-15/h2-6,14-15,17H,7-13H2,1H3
InChIKeyWZJWXMIZSCBJHM-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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-methyloxolan-3-yl)methyl]-3-phenylbutan-1-amine
CID 114104984
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
2-(cyclopropylmethylamino)-N-(3-phenylbutyl)acetamide
CID 55152746
N-(oxan-4-ylmethyl)-1,1-diphenylpropan-2-amine
CID 119153366
N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine
CID 113474995
3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine
CID 79352188
N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylbutan-1-amine
CID 107094689
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylbutan-1-amine
CID 63896874
N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine
CID 113259795
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-phenylbutan-1-amine
CID 79218781
3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine
CID 103896914
1-(oxan-4-yl)-3-phenylbutan-1-ol
CID 63937274

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine (CID 62986615) is N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine is CC(CCNCC1CCOCC1)c1ccccc1.
What is the InChIKey of N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine?
The InChIKey is WZJWXMIZSCBJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14(16-5-3-2-4-6-16)7-10-17-13-15-8-11-18-12-9-15/h2-6,14-15,17H,7-13H2,1H3.
What are the key properties of N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine?
N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine is sourced from PubChem (CID 62986615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).