1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine

C16H28N2O — CID 84747739

IUPAC1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine
SMILESCCCN(CCC)C(C)(N)Cc1ccc(OC)cc1
InChIInChI=1S/C16H28N2O/c1-5-11-18(12-6-2)16(3,17)13-14-7-9-15(19-4)10-8-14/h7-10H,5-6,11-13,17H2,1-4H3
InChIKeyXQDMFBHBRGRPLM-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.03
Rot. Bonds8

About 1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine

1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine (PubChem CID 84747739) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine
PubChem CID84747739
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine
SMILESCCCN(CCC)C(C)(N)Cc1ccc(OC)cc1
InChIInChI=1S/C16H28N2O/c1-5-11-18(12-6-2)16(3,17)13-14-7-9-15(19-4)10-8-14/h7-10H,5-6,11-13,17H2,1-4H3
InChIKeyXQDMFBHBRGRPLM-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N',2-N'-diethyl-1-(4-methoxyphenyl)propane-2,2-diamine
CID 84752655
1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84748167
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
CID 43459594
1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 65477669
2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
CID 14989929
3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752096
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
2-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273223
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
3-N-[2-(4-methoxyphenyl)ethyl]-3-N-propylbenzene-1,3-diamine
CID 65446769

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine (CID 84747739) is 1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine is CCCN(CCC)C(C)(N)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine?
The InChIKey is XQDMFBHBRGRPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-11-18(12-6-2)16(3,17)13-14-7-9-15(19-4)10-8-14/h7-10H,5-6,11-13,17H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine?
1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-N',2-N'-dipropylpropane-2,2-diamine is sourced from PubChem (CID 84747739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).