3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine

C15H26N2O2 — CID 102697111

IUPAC3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine
SMILESCOc1ccc(CC(C)(CN)NCC(C)OC)cc1
InChIInChI=1S/C15H26N2O2/c1-12(18-3)10-17-15(2,11-16)9-13-5-7-14(19-4)8-6-13/h5-8,12,17H,9-11,16H2,1-4H3
InChIKeyHCMSQRNRVNMQHN-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.58
Rot. Bonds8

About 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine

3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine (PubChem CID 102697111) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine
PubChem CID102697111
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine
SMILESCOc1ccc(CC(C)(CN)NCC(C)OC)cc1
InChIInChI=1S/C15H26N2O2/c1-12(18-3)10-17-15(2,11-16)9-13-5-7-14(19-4)8-6-13/h5-8,12,17H,9-11,16H2,1-4H3
InChIKeyHCMSQRNRVNMQHN-UHFFFAOYSA-N
XLogP1.58
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 65385865
3-(4-methoxyphenyl)-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 65380352
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 55169280
1-(4-methoxyphenyl)-2,3-dimethylpentan-2-ol
CID 79444953
(2S)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propane-1,2-diol
CID 70597929
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-propan-2-yloxypropan-2-ol
CID 22640903
1-(4-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 62394123
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 63271193

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine (CID 102697111) is 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine is COc1ccc(CC(C)(CN)NCC(C)OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine?
The InChIKey is HCMSQRNRVNMQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(18-3)10-17-15(2,11-16)9-13-5-7-14(19-4)8-6-13/h5-8,12,17H,9-11,16H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine?
3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-N-(2-methoxypropyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 102697111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).