2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol

C15H26N2O — CID 81412116

IUPAC2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-5-15(2,12-18)11-16-10-13-6-8-14(9-7-13)17(3)4/h6-9,16,18H,5,10-12H2,1-4H3
InChIKeyYAXKQDVOGUHTLE-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.25
Rot. Bonds7

About 2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol

2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol (PubChem CID 81412116) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol
PubChem CID81412116
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCc1ccc(N(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-5-15(2,12-18)11-16-10-13-6-8-14(9-7-13)17(3)4/h6-9,16,18H,5,10-12H2,1-4H3
InChIKeyYAXKQDVOGUHTLE-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol
CID 103828079
2-[[4-(dimethylamino)phenyl]methylamino]-2-ethylpropane-1,3-diol
CID 113344548
2-[4-(ethylaminomethyl)-N-methylanilino]-2-methylpropan-1-ol
CID 113475937
2-[[4-[(dimethylamino)methyl]anilino]methyl]-2-methylbutan-1-ol
CID 81413541
2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol
CID 81418951
3-[[4-(diethylamino)phenyl]methylamino]-2,2-difluoropropan-1-ol
CID 104857903
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine
CID 3029601
[4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]phenyl]methanol
CID 113365773
2-methyl-2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 81419243
2-[[4-(dimethylamino)phenyl]methylamino]butan-1-ol;hydrochloride
CID 2988960
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine;tetrahydrochloride
CID 3029600
2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63495384

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol (CID 81412116) is 2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNCc1ccc(N(C)C)cc1.
What is the InChIKey of 2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol?
The InChIKey is YAXKQDVOGUHTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-15(2,12-18)11-16-10-13-6-8-14(9-7-13)17(3)4/h6-9,16,18H,5,10-12H2,1-4H3.
What are the key properties of 2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol?
2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81412116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).