1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine

C16H26N2O — CID 114929660

IUPAC1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine
SMILESNC(CCc1ccccc1)CNCCC1CCCO1
InChIInChI=1S/C16H26N2O/c17-15(9-8-14-5-2-1-3-6-14)13-18-11-10-16-7-4-12-19-16/h1-3,5-6,15-16,18H,4,7-13,17H2
InChIKeyDFXSUNIBYAZTEW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.11
Rot. Bonds8

About 1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine

1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine (PubChem CID 114929660) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine
PubChem CID114929660
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine
SMILESNC(CCc1ccccc1)CNCCC1CCCO1
InChIInChI=1S/C16H26N2O/c17-15(9-8-14-5-2-1-3-6-14)13-18-11-10-16-7-4-12-19-16/h1-3,5-6,15-16,18H,4,7-13,17H2
InChIKeyDFXSUNIBYAZTEW-UHFFFAOYSA-N
XLogP2.11
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 104984102
[1-(oxolan-2-yl)-7-phenylheptan-4-yl]hydrazine
CID 105314154
N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
CID 79763588
methyl 3-[2-(oxolan-2-yl)ethylamino]-2-phenylpropanoate
CID 64567904
2-[3-[2-(oxolan-2-yl)ethylamino]propyl]aniline
CID 107274414
N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
CID 60688470
3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
CID 43182521
1-naphthalen-1-yl-5-(oxolan-2-yl)pentan-2-amine
CID 105156579
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61039973
2-[3-(oxolan-2-yl)propylamino]-1-phenylethanol
CID 65164044
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
2-(2-phenylethyl)oxetane
CID 13354102

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine?
The IUPAC name of 1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine (CID 114929660) is 1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine?
The canonical SMILES for 1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine is NC(CCc1ccccc1)CNCCC1CCCO1.
What is the InChIKey of 1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine?
The InChIKey is DFXSUNIBYAZTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c17-15(9-8-14-5-2-1-3-6-14)13-18-11-10-16-7-4-12-19-16/h1-3,5-6,15-16,18H,4,7-13,17H2.
What are the key properties of 1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine?
1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 114929660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).