2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine

C18H32N2O — CID 83935077

IUPAC2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine
SMILESCCCOc1ccc(C(C)CC(CN)CN)cc1C(C)C
InChIInChI=1S/C18H32N2O/c1-5-8-21-18-7-6-16(10-17(18)13(2)3)14(4)9-15(11-19)12-20/h6-7,10,13-15H,5,8-9,11-12,19-20H2,1-4H3
InChIKeyYNNKXGQTGYWPLX-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.63
Rot. Bonds9

About 2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine

2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine (PubChem CID 83935077) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine
PubChem CID83935077
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine
SMILESCCCOc1ccc(C(C)CC(CN)CN)cc1C(C)C
InChIInChI=1S/C18H32N2O/c1-5-8-21-18-7-6-16(10-17(18)13(2)3)14(4)9-15(11-19)12-20/h6-7,10,13-15H,5,8-9,11-12,19-20H2,1-4H3
InChIKeyYNNKXGQTGYWPLX-UHFFFAOYSA-N
XLogP3.63
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methoxy-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83938445
2-(aminomethyl)-4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-1-ol
CID 83934656
4-pent-4-yn-2-yl-2-propan-2-yl-1-propoxybenzene
CID 83935094
2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol
CID 83944138
1-(3-propan-2-yl-4-propoxyphenyl)butan-2-amine
CID 170890539
2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83941785
6-(4-ethoxy-3-propan-2-ylphenyl)heptane-3,4-diol
CID 83935306
1-amino-4-(5-chloro-2-propoxyphenyl)pentan-2-ol
CID 83933454
1-(5-butan-2-yl-2-propoxyphenyl)propan-2-amine
CID 170891440
3-(3-propan-2-yl-4-propoxyphenyl)hexanoic acid
CID 83958301
2-[2,4-di(propan-2-yl)phenoxy]ethanol
CID 166451717
5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol
CID 83938537

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine?
The IUPAC name of 2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine (CID 83935077) is 2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine.
What is the SMILES notation for 2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine?
The canonical SMILES for 2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine is CCCOc1ccc(C(C)CC(CN)CN)cc1C(C)C.
What is the InChIKey of 2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine?
The InChIKey is YNNKXGQTGYWPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-8-21-18-7-6-16(10-17(18)13(2)3)14(4)9-15(11-19)12-20/h6-7,10,13-15H,5,8-9,11-12,19-20H2,1-4H3.
What are the key properties of 2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine?
2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine is sourced from PubChem (CID 83935077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).