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

C15H26N2O — CID 115198963

IUPACN'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
SMILESCOc1cccc(C(C)(C)CNCC(C)CN)c1
InChIInChI=1S/C15H26N2O/c1-12(9-16)10-17-11-15(2,3)13-6-5-7-14(8-13)18-4/h5-8,12,17H,9-11,16H2,1-4H3
InChIKeyKNVGHZKSBQEGRS-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.16
Rot. Bonds7

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

N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine (PubChem CID 115198963) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
PubChem CID115198963
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
SMILESCOc1cccc(C(C)(C)CNCC(C)CN)c1
InChIInChI=1S/C15H26N2O/c1-12(9-16)10-17-11-15(2,3)13-6-5-7-14(8-13)18-4/h5-8,12,17H,9-11,16H2,1-4H3
InChIKeyKNVGHZKSBQEGRS-UHFFFAOYSA-N
XLogP2.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(3-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201631
3-N-[2-(3-methoxyphenyl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115135089
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
4-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 64715949
3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 120873398
N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198929
[2-(3-methoxyphenyl)-2-methylpropyl]carbamothioic S-acid
CID 115170588
2-ethyl-N'-[2-(4-methoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115251783
2-methyl-2-(3-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62595545
2-(3-methoxyphenyl)-4-methylhexan-2-amine
CID 62622006
N-(3-amino-2-methylpropyl)-3-methoxybenzenesulfonamide
CID 115271577
1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine
CID 115117745

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine (CID 115198963) is N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine is COc1cccc(C(C)(C)CNCC(C)CN)c1.
What is the InChIKey of N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine?
The InChIKey is KNVGHZKSBQEGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(9-16)10-17-11-15(2,3)13-6-5-7-14(8-13)18-4/h5-8,12,17H,9-11,16H2,1-4H3.
What are the key properties of N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine?
N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine is sourced from PubChem (CID 115198963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).