4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol

C17H28N2O2 — CID 2902360

IUPAC4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol
SMILESCN(C)c1ccc(CNCC2(O)CCOC(C)(C)C2)cc1
InChIInChI=1S/C17H28N2O2/c1-16(2)12-17(20,9-10-21-16)13-18-11-14-5-7-15(8-6-14)19(3)4/h5-8,18,20H,9-13H2,1-4H3
InChIKeyDBTRIZJVKLKCRR-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.16
Rot. Bonds5

About 4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol

4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol (PubChem CID 2902360) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol.

Molecular Properties

Compound Name4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol
PubChem CID2902360
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol
SMILESCN(C)c1ccc(CNCC2(O)CCOC(C)(C)C2)cc1
InChIInChI=1S/C17H28N2O2/c1-16(2)12-17(20,9-10-21-16)13-18-11-14-5-7-15(8-6-14)19(3)4/h5-8,18,20H,9-13H2,1-4H3
InChIKeyDBTRIZJVKLKCRR-UHFFFAOYSA-N
XLogP2.16
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(4S)-4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2,2-dimethyloxan-4-ol
CID 753773
4-[[[4-(dimethylamino)phenyl]methylamino]methyl]thian-4-ol
CID 111436704
4-[2-[(4-methoxyphenyl)methylamino]ethyl]-2,2-dimethyloxan-4-ol
CID 3105290
N-[[4-(dimethylamino)phenyl]methyl]-N'-(2,2-dimethyloxan-4-yl)ethane-1,2-diamine
CID 42649549
4-[[[1-(dimethylamino)cyclopentyl]methylamino]methyl]-N,N-dimethylaniline
CID 78912341
4-[(4-iodophenyl)methyl]-2,2-dimethyloxan-4-ol
CID 65478285
N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine
CID 113321797
4-[[2-(2-ethyl-2-methyl-4-propan-2-yloxan-4-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 3799475
4-[(pyridin-4-ylmethylamino)methyl]oxan-4-ol
CID 78928948
4-[[[4-(methoxymethyl)phenyl]methylamino]methyl]oxan-4-ol
CID 79032435
N,N-dimethyl-4-[[(1-methylcyclopropyl)amino]methyl]aniline
CID 115635128
N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine
CID 115768832

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol?
The IUPAC name of 4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol (CID 2902360) is 4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol.
What is the SMILES notation for 4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol?
The canonical SMILES for 4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol is CN(C)c1ccc(CNCC2(O)CCOC(C)(C)C2)cc1.
What is the InChIKey of 4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol?
The InChIKey is DBTRIZJVKLKCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-16(2)12-17(20,9-10-21-16)13-18-11-14-5-7-15(8-6-14)19(3)4/h5-8,18,20H,9-13H2,1-4H3.
What are the key properties of 4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol?
4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol has a molecular weight of 292.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(dimethylamino)phenyl]methylamino]methyl]-2,2-dimethyloxan-4-ol is sourced from PubChem (CID 2902360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).