N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine

C14H22N2O — CID 62878034

IUPACN'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine
SMILESNCC(CNCC1CCOC1)c1ccccc1
InChIInChI=1S/C14H22N2O/c15-8-14(13-4-2-1-3-5-13)10-16-9-12-6-7-17-11-12/h1-5,12,14,16H,6-11,15H2
InChIKeyIURDVOQZHJPOTH-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.36
Rot. Bonds6

About N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine

N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine (PubChem CID 62878034) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine
PubChem CID62878034
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine
SMILESNCC(CNCC1CCOC1)c1ccccc1
InChIInChI=1S/C14H22N2O/c15-8-14(13-4-2-1-3-5-13)10-16-9-12-6-7-17-11-12/h1-5,12,14,16H,6-11,15H2
InChIKeyIURDVOQZHJPOTH-UHFFFAOYSA-N
XLogP1.36
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine
CID 103896914
1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 114172171
N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
CID 60920561
N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63736846
N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide
CID 119528776
2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 55092520
3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119716804
2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine
CID 107138126
N-(oxolan-3-ylmethyl)-3-phenylprop-2-en-1-amine
CID 76940224
N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine
CID 81027801
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65024238
3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine
CID 102671497

Frequently Asked Questions

What is the IUPAC name of N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine?
The IUPAC name of N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine (CID 62878034) is N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine is NCC(CNCC1CCOC1)c1ccccc1.
What is the InChIKey of N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine?
The InChIKey is IURDVOQZHJPOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-8-14(13-4-2-1-3-5-13)10-16-9-12-6-7-17-11-12/h1-5,12,14,16H,6-11,15H2.
What are the key properties of N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine?
N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 62878034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).