2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine

C16H28N2O — CID 116501784

IUPAC2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine
SMILESCCCCN(c1ccccc1)C(CN)C(C)COC
InChIInChI=1S/C16H28N2O/c1-4-5-11-18(15-9-7-6-8-10-15)16(12-17)14(2)13-19-3/h6-10,14,16H,4-5,11-13,17H2,1-3H3
InChIKeyJTKZEPNAPCWCFK-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.90
Rot. Bonds9

About 2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine

2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine (PubChem CID 116501784) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine
PubChem CID116501784
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine
SMILESCCCCN(c1ccccc1)C(CN)C(C)COC
InChIInChI=1S/C16H28N2O/c1-4-5-11-18(15-9-7-6-8-10-15)16(12-17)14(2)13-19-3/h6-10,14,16H,4-5,11-13,17H2,1-3H3
InChIKeyJTKZEPNAPCWCFK-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-N,3-dimethyl-2-N-phenylbutane-1,2-diamine
CID 116501559
N-hexan-2-yl-N-propylaniline
CID 54357467
N'-pentan-2-yl-N'-phenylpropane-1,3-diamine
CID 107895596
carbon dioxide;propan-2-yl 2-(N-butylanilino)-3-methylbutanoate
CID 162192039
N-butyl-N-[1-(4-methylphenoxy)ethyl]aniline
CID 70632750
1-N-butyl-1-N-phenylpropane-1,2-diamine
CID 64584797
N-butyl-N-[1-(2-propan-2-ylphenoxy)ethyl]aniline
CID 70632939
N-butyl-1-(oxan-4-yl)-N-phenylethane-1,2-diamine
CID 64585381
2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine
CID 60709858
3-[1-(N-butylanilino)ethyl]phenol
CID 82980304
N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine
CID 65233155
2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine
CID 116501699

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine (CID 116501784) is 2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine is CCCCN(c1ccccc1)C(CN)C(C)COC.
What is the InChIKey of 2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine?
The InChIKey is JTKZEPNAPCWCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-5-11-18(15-9-7-6-8-10-15)16(12-17)14(2)13-19-3/h6-10,14,16H,4-5,11-13,17H2,1-3H3.
What are the key properties of 2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine?
2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-methoxy-3-methyl-2-N-phenylbutane-1,2-diamine is sourced from PubChem (CID 116501784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).