4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine

C17H30N2O2 — CID 61453212

IUPAC4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine
SMILESCOCC(C)N(C)C(C)(CN)CCc1ccc(OC)cc1
InChIInChI=1S/C17H30N2O2/c1-14(12-20-4)19(3)17(2,13-18)11-10-15-6-8-16(21-5)9-7-15/h6-9,14H,10-13,18H2,1-5H3
InChIKeyUPXHLYYXTUJPNS-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.31
Rot. Bonds9

About 4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine

4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine (PubChem CID 61453212) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine
PubChem CID61453212
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine
SMILESCOCC(C)N(C)C(C)(CN)CCc1ccc(OC)cc1
InChIInChI=1S/C17H30N2O2/c1-14(12-20-4)19(3)17(2,13-18)11-10-15-6-8-16(21-5)9-7-15/h6-9,14H,10-13,18H2,1-5H3
InChIKeyUPXHLYYXTUJPNS-UHFFFAOYSA-N
XLogP2.31
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine
CID 54878009
4-[4-(difluoromethoxy)phenyl]-2-N,2-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43185277
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 55169280
3-(aminomethyl)-5-(4-methoxyphenyl)-3-methylpentanoic acid
CID 66097459
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924846
2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 55139466
1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene
CID 22900338
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine
CID 60709902
2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420599
2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 60709719
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine?
The IUPAC name of 4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine (CID 61453212) is 4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine?
The canonical SMILES for 4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine is COCC(C)N(C)C(C)(CN)CCc1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine?
The InChIKey is UPXHLYYXTUJPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-14(12-20-4)19(3)17(2,13-18)11-10-15-6-8-16(21-5)9-7-15/h6-9,14H,10-13,18H2,1-5H3.
What are the key properties of 4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine?
4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-N-(1-methoxypropan-2-yl)-2-N,2-dimethylbutane-1,2-diamine is sourced from PubChem (CID 61453212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).