1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine

C14H24N2O — CID 116950034

IUPAC1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCNC(c1cccc(OC)c1)C(C)(C)CCN
InChIInChI=1S/C14H24N2O/c1-14(2,8-9-15)13(16-3)11-6-5-7-12(10-11)17-4/h5-7,10,13,16H,8-9,15H2,1-4H3
InChIKeyPTCDDXWMQGTBLQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.33
Rot. Bonds6

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

1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine (PubChem CID 116950034) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine
PubChem CID116950034
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCNC(c1cccc(OC)c1)C(C)(C)CCN
InChIInChI=1S/C14H24N2O/c1-14(2,8-9-15)13(16-3)11-6-5-7-12(10-11)17-4/h5-7,10,13,16H,8-9,15H2,1-4H3
InChIKeyPTCDDXWMQGTBLQ-UHFFFAOYSA-N
XLogP2.33
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N-diethyl-1-(3-methoxyphenyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79068906
2-(3-methoxyphenyl)-2-(methylamino)acetamide
CID 60797274
1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116958827
(3R)-3-amino-3-(3-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171239631
6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 81353778
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066957
3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 103024842
1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384884
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
2-methoxy-1-(3-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116719987
4-amino-2-(3-methoxyphenyl)butan-1-ol
CID 115020276

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine?
The IUPAC name of 1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine (CID 116950034) is 1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine is CNC(c1cccc(OC)c1)C(C)(C)CCN.
What is the InChIKey of 1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine?
The InChIKey is PTCDDXWMQGTBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,8-9-15)13(16-3)11-6-5-7-12(10-11)17-4/h5-7,10,13,16H,8-9,15H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine?
1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N,2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 116950034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).