2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde

C14H17NO — CID 174389012

IUPAC2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde
SMILESCN(C)CC1=C(C=O)c2ccccc2CC1
InChIInChI=1S/C14H17NO/c1-15(2)9-12-8-7-11-5-3-4-6-13(11)14(12)10-16/h3-6,10H,7-9H2,1-2H3
InChIKeyKZCURQRUPLZQDZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.15
Rot. Bonds3

About 2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde

2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde (PubChem CID 174389012) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde
PubChem CID174389012
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde
SMILESCN(C)CC1=C(C=O)c2ccccc2CC1
InChIInChI=1S/C14H17NO/c1-15(2)9-12-8-7-11-5-3-4-6-13(11)14(12)10-16/h3-6,10H,7-9H2,1-2H3
InChIKeyKZCURQRUPLZQDZ-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde?
The IUPAC name of 2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde (CID 174389012) is 2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde?
The canonical SMILES for 2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde is CN(C)CC1=C(C=O)c2ccccc2CC1.
What is the InChIKey of 2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde?
The InChIKey is KZCURQRUPLZQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-15(2)9-12-8-7-11-5-3-4-6-13(11)14(12)10-16/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde?
2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde has a molecular weight of 215.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3,4-dihydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 174389012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).