N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine

C15H26N2O — CID 62459122

IUPACN-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(COCCN(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-13(2)16-11-14-5-7-15(8-6-14)12-18-10-9-17(3)4/h5-8,13,16H,9-12H2,1-4H3
InChIKeyNNVLQMBBXKRNSF-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.26
Rot. Bonds8

About N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine

N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine (PubChem CID 62459122) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
PubChem CID62459122
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(COCCN(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-13(2)16-11-14-5-7-15(8-6-14)12-18-10-9-17(3)4/h5-8,13,16H,9-12H2,1-4H3
InChIKeyNNVLQMBBXKRNSF-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 104566770
N-[[4-(3-methoxypropoxymethyl)phenyl]methyl]propan-2-amine
CID 62441668
N-[[4-(4,4,4-trifluorobutoxymethyl)phenyl]methyl]propan-2-amine
CID 82792663
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-1-amine
CID 105350635
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]propyl]-2-methylpropan-1-amine
CID 105350650
N-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]propan-2-amine
CID 43278203
N-[[2-[2-(dimethylamino)ethoxymethyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62458588
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]propan-1-amine
CID 105350646
N-[2-[4-[2-(dimethylamino)ethoxymethyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105350642
N-[[4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]cyclopropanamine
CID 62458464
N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine
CID 82807557
N'-ethyl-N,N-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 102997517

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine (CID 62459122) is N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(COCCN(C)C)cc1.
What is the InChIKey of N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine?
The InChIKey is NNVLQMBBXKRNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(2)16-11-14-5-7-15(8-6-14)12-18-10-9-17(3)4/h5-8,13,16H,9-12H2,1-4H3.
What are the key properties of N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine?
N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)ethoxymethyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62459122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).