4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol

C14H24N2O — CID 43205412

IUPAC4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol
SMILESCC(C)C(CNCc1ccc(O)cc1)N(C)C
InChIInChI=1S/C14H24N2O/c1-11(2)14(16(3)4)10-15-9-12-5-7-13(17)8-6-12/h5-8,11,14-15,17H,9-10H2,1-4H3
InChIKeyJCTXVMFUZPNCNI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.07
Rot. Bonds6

About 4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol

4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol (PubChem CID 43205412) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol
PubChem CID43205412
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol
SMILESCC(C)C(CNCc1ccc(O)cc1)N(C)C
InChIInChI=1S/C14H24N2O/c1-11(2)14(16(3)4)10-15-9-12-5-7-13(17)8-6-12/h5-8,11,14-15,17H,9-10H2,1-4H3
InChIKeyJCTXVMFUZPNCNI-UHFFFAOYSA-N
XLogP2.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol with MolForge

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Related Compounds

2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 18804091
1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205416
1-N-[[4-(difluoromethoxy)phenyl]methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205421
1-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 81002469
1-N-[(3-chloro-4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 81144020
2-N,2-N,3-trimethyl-1-N-[(3,4,5-trifluorophenyl)methyl]butane-1,2-diamine
CID 63051526
1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205422
1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205575
1-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43109817
4-[[[4-(2-methylpropyl)phenyl]methylamino]methyl]phenol
CID 115688990
2-N,2-N,3-trimethyl-1-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butane-1,2-diamine
CID 62097200
4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 43823560

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol?
The IUPAC name of 4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol (CID 43205412) is 4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol?
The canonical SMILES for 4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol is CC(C)C(CNCc1ccc(O)cc1)N(C)C.
What is the InChIKey of 4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol?
The InChIKey is JCTXVMFUZPNCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)14(16(3)4)10-15-9-12-5-7-13(17)8-6-12/h5-8,11,14-15,17H,9-10H2,1-4H3.
What are the key properties of 4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol?
4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol has a molecular weight of 236.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]phenol is sourced from PubChem (CID 43205412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).