2-methyl-4-phenylmethoxybutane-1,2-diamine

C12H20N2O — CID 90114043

IUPAC2-methyl-4-phenylmethoxybutane-1,2-diamine
SMILESCC(N)(CN)CCOCc1ccccc1
InChIInChI=1S/C12H20N2O/c1-12(14,10-13)7-8-15-9-11-5-3-2-4-6-11/h2-6H,7-10,13-14H2,1H3
InChIKeyVFAPWFGSMRBOKK-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.27
Rot. Bonds6

About 2-methyl-4-phenylmethoxybutane-1,2-diamine

2-methyl-4-phenylmethoxybutane-1,2-diamine (PubChem CID 90114043) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-methyl-4-phenylmethoxybutane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-4-phenylmethoxybutane-1,2-diamine
PubChem CID90114043
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-methyl-4-phenylmethoxybutane-1,2-diamine
SMILESCC(N)(CN)CCOCc1ccccc1
InChIInChI=1S/C12H20N2O/c1-12(14,10-13)7-8-15-9-11-5-3-2-4-6-11/h2-6H,7-10,13-14H2,1H3
InChIKeyVFAPWFGSMRBOKK-UHFFFAOYSA-N
XLogP1.27
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine
CID 130537173
(3-methyl-3-phenoxybutoxy)methylbenzene
CID 59317010
2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
CID 130536986
ethane;2-phenylmethoxyethanamine
CID 142016503
1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one
CID 130537598
3,3-dimethyl-4-phenylmethoxybutan-1-amine
CID 122238724
N,2-dimethyl-N-(2-phenylmethoxyethyl)propan-2-amine
CID 23381577
N'-tert-butyl-N-(2-phenylmethoxyethyl)methanediimine
CID 132515040
(3-chloro-5,5,5-trifluoro-3-methylpentoxy)methylbenzene
CID 162621053
N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride
CID 122240236
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine
CID 130537187

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylmethoxybutane-1,2-diamine?
The IUPAC name of 2-methyl-4-phenylmethoxybutane-1,2-diamine (CID 90114043) is 2-methyl-4-phenylmethoxybutane-1,2-diamine.
What is the SMILES notation for 2-methyl-4-phenylmethoxybutane-1,2-diamine?
The canonical SMILES for 2-methyl-4-phenylmethoxybutane-1,2-diamine is CC(N)(CN)CCOCc1ccccc1.
What is the InChIKey of 2-methyl-4-phenylmethoxybutane-1,2-diamine?
The InChIKey is VFAPWFGSMRBOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(14,10-13)7-8-15-9-11-5-3-2-4-6-11/h2-6H,7-10,13-14H2,1H3.
What are the key properties of 2-methyl-4-phenylmethoxybutane-1,2-diamine?
2-methyl-4-phenylmethoxybutane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylmethoxybutane-1,2-diamine is sourced from PubChem (CID 90114043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).