N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine

C14H23NO2 — CID 66222971

IUPACN-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine
SMILESCOC(CN(Cc1ccccc1)C(C)C)OC
InChIInChI=1S/C14H23NO2/c1-12(2)15(11-14(16-3)17-4)10-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3
InChIKeyFEOVPJQXKAKOSY-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.52
Rot. Bonds7

About N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine

N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine (PubChem CID 66222971) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine
PubChem CID66222971
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine
SMILESCOC(CN(Cc1ccccc1)C(C)C)OC
InChIInChI=1S/C14H23NO2/c1-12(2)15(11-14(16-3)17-4)10-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3
InChIKeyFEOVPJQXKAKOSY-UHFFFAOYSA-N
XLogP2.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
CID 58405259
(2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine
CID 130522033
1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713905
3-[benzyl(propan-2-yl)amino]-2-methylpropanethioamide
CID 43367666
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
N-benzyl-N-(2,2-dimethoxyethyl)ethenesulfonamide
CID 138099222
N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine
CID 130758158
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
[2-(dimethylsulfamoylamino)propyl-propan-2-ylamino]methylbenzene
CID 110284657
N-benzyl-N-[(3-bromo-4-methoxyphenyl)methyl]propan-2-amine
CID 60688895
N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849259
N-benzyl-2-methoxy-N-propan-2-ylpropanamide
CID 115588172

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine?
The IUPAC name of N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine (CID 66222971) is N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine.
What is the SMILES notation for N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine?
The canonical SMILES for N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine is COC(CN(Cc1ccccc1)C(C)C)OC.
What is the InChIKey of N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine?
The InChIKey is FEOVPJQXKAKOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(2)15(11-14(16-3)17-4)10-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3.
What are the key properties of N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine?
N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine is sourced from PubChem (CID 66222971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).