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

C14H24N2O — CID 66454499

IUPAC1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
SMILESCOc1cccc(N(C)CC(C)(C)C(C)N)c1
InChIInChI=1S/C14H24N2O/c1-11(15)14(2,3)10-16(4)12-7-6-8-13(9-12)17-5/h6-9,11H,10,15H2,1-5H3
InChIKeySFRPGEYHEUYGOV-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.50
Rot. Bonds5

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

1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine (PubChem CID 66454499) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
PubChem CID66454499
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine
SMILESCOc1cccc(N(C)CC(C)(C)C(C)N)c1
InChIInChI=1S/C14H24N2O/c1-11(15)14(2,3)10-16(4)12-7-6-8-13(9-12)17-5/h6-9,11H,10,15H2,1-5H3
InChIKeySFRPGEYHEUYGOV-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62003980
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
2-N-ethyl-1-N-(3-methoxyphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 62836361
2-ethyl-N-(3-methoxyphenyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260071
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
3-methoxy-N,N-disilylaniline
CID 149149494
N-[2-(bromomethyl)-2-ethylbutyl]-3-methoxy-N-methylaniline
CID 65003789
1-N-(3-methoxyphenyl)-1-N-methyl-3-phenylpropane-1,2-diamine
CID 62004171
tert-butyl 2-(3-methoxy-N-methylanilino)propanoate
CID 66337235
2-[2-(3-methoxy-N-methylanilino)ethoxy]propanenitrile
CID 114266184
N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
CID 106708049
5-methoxy-1-N-(3-methoxyphenyl)-1-N-methylpentane-1,2-diamine
CID 81101880

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine?
The IUPAC name of 1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine (CID 66454499) is 1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine?
The canonical SMILES for 1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine is COc1cccc(N(C)CC(C)(C)C(C)N)c1.
What is the InChIKey of 1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine?
The InChIKey is SFRPGEYHEUYGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(15)14(2,3)10-16(4)12-7-6-8-13(9-12)17-5/h6-9,11H,10,15H2,1-5H3.
What are the key properties of 1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine?
1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxyphenyl)-1-N,2,2-trimethylbutane-1,3-diamine is sourced from PubChem (CID 66454499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).