3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine

C16H28N2O — CID 115135089

IUPAC3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine
SMILESCOc1cccc(C(C)(C)CNC(C)(C)CCN)c1
InChIInChI=1S/C16H28N2O/c1-15(2,12-18-16(3,4)9-10-17)13-7-6-8-14(11-13)19-5/h6-8,11,18H,9-10,12,17H2,1-5H3
InChIKeyCOUSVPCTYUNKKR-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.69
Rot. Bonds7

About 3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine

3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine (PubChem CID 115135089) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine
PubChem CID115135089
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine
SMILESCOc1cccc(C(C)(C)CNC(C)(C)CCN)c1
InChIInChI=1S/C16H28N2O/c1-15(2,12-18-16(3,4)9-10-17)13-7-6-8-14(11-13)19-5/h6-8,11,18H,9-10,12,17H2,1-5H3
InChIKeyCOUSVPCTYUNKKR-UHFFFAOYSA-N
XLogP2.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201631
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198963
3-methyl-3-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,3-diamine
CID 115135086
3,3-dimethoxy-3-(3-methoxyphenyl)propan-1-amine
CID 94684684
[2-(3-methoxyphenyl)-2-methylpropyl]carbamothioic S-acid
CID 115170588
1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine
CID 115117745
(3R,4R)-1-amino-3-(3-methoxyphenyl)-4,5-dimethylhexan-3-ol
CID 69117113
(3S,4S)-1-amino-3-(3-methoxyphenyl)-4,5-dimethylhexan-3-ol
CID 68538917
1-cyano-N-[2-(3-methoxyphenyl)-2-methylpropyl]formamide
CID 115172833
3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 120873398
3-fluoro-3-(3-methoxyphenyl)-N-methylbutan-1-amine
CID 105465072

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine?
The IUPAC name of 3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine (CID 115135089) is 3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine is COc1cccc(C(C)(C)CNC(C)(C)CCN)c1.
What is the InChIKey of 3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine?
The InChIKey is COUSVPCTYUNKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-15(2,12-18-16(3,4)9-10-17)13-7-6-8-14(11-13)19-5/h6-8,11,18H,9-10,12,17H2,1-5H3.
What are the key properties of 3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine?
3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine is sourced from PubChem (CID 115135089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).