1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine

C14H22N2O — CID 114172171

IUPAC1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CNCC2CCOC2)cc1
InChIInChI=1S/C14H22N2O/c1-11-2-4-13(5-3-11)14(15)9-16-8-12-6-7-17-10-12/h2-5,12,14,16H,6-10,15H2,1H3
InChIKeyAXDZRRQPQPIMKA-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.62
Rot. Bonds5

About 1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine

1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine (PubChem CID 114172171) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine
PubChem CID114172171
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CNCC2CCOC2)cc1
InChIInChI=1S/C14H22N2O/c1-11-2-4-13(5-3-11)14(15)9-16-8-12-6-7-17-10-12/h2-5,12,14,16H,6-10,15H2,1H3
InChIKeyAXDZRRQPQPIMKA-UHFFFAOYSA-N
XLogP1.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
CID 44441351
N-[(2-methylphenyl)methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 127051504
1-(4-Methylphenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 16226737
N-Benzyloxolan-3-amine
CID 14977996
(3-Ethoxypropyl)[(4-methylphenyl)methyl]amine
CID 4716360
N-benzyl-1-tetrahydrofuran-3-yl-propan-2-amine
CID 122156964
[(2S,4R)-1-benzyl-4-methoxypyrrolidin-2-yl]methanamine
CID 132398984
[(3-Fluoro-2-methylphenyl)methyl][(oxolan-3-yl)methyl]amine
CID 155820598
2-N-benzyl-3-methoxypropane-1,2-diamine
CID 73223715
1-(2-fluoro-5-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine
CID 69494549
N-[(3-fluoro-5-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 90054845
N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 126684597

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine (CID 114172171) is 1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine is Cc1ccc(C(N)CNCC2CCOC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is AXDZRRQPQPIMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-2-4-13(5-3-11)14(15)9-16-8-12-6-7-17-10-12/h2-5,12,14,16H,6-10,15H2,1H3.
What are the key properties of 1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine?
1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 114172171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).