3-(naphthalen-2-ylmethylamino)benzaldehyde

C18H15NO — CID 142658488

IUPAC3-(naphthalen-2-ylmethylamino)benzaldehyde
SMILESO=Cc1cccc(NCc2ccc3ccccc3c2)c1
InChIInChI=1S/C18H15NO/c20-13-15-4-3-7-18(11-15)19-12-14-8-9-16-5-1-2-6-17(16)10-14/h1-11,13,19H,12H2
InChIKeyDXRZXGDPMPMPHL-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.26
Rot. Bonds4

About 3-(naphthalen-2-ylmethylamino)benzaldehyde

3-(naphthalen-2-ylmethylamino)benzaldehyde (PubChem CID 142658488) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(naphthalen-2-ylmethylamino)benzaldehyde.

Molecular Properties

Compound Name3-(naphthalen-2-ylmethylamino)benzaldehyde
PubChem CID142658488
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name3-(naphthalen-2-ylmethylamino)benzaldehyde
SMILESO=Cc1cccc(NCc2ccc3ccccc3c2)c1
InChIInChI=1S/C18H15NO/c20-13-15-4-3-7-18(11-15)19-12-14-8-9-16-5-1-2-6-17(16)10-14/h1-11,13,19H,12H2
InChIKeyDXRZXGDPMPMPHL-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(anilinomethyl)benzaldehyde
CID 87371298
3-bromo-N-(naphthalen-2-ylmethyl)aniline
CID 28555096
3-(methoxymethyl)-N-(naphthalen-2-ylmethyl)aniline
CID 43672062
4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 65437656
3,4-bis(ethenyl)-N-(naphthalen-2-ylmethyl)aniline
CID 144588782
3-(2-fluoroethylamino)benzaldehyde
CID 84652613
N-(naphthalen-2-ylmethyl)-2-oxoacetamide
CID 54357597
benzaldehyde;2-(2-bromoethyl)naphthalene
CID 174551733
3-[(naphthalen-2-ylamino)methyl]benzamide
CID 43533069
N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine
CID 141147777
3-[(naphthalen-2-ylamino)methyl]phenol
CID 43680286
N-[[3-(aminomethyl)phenyl]methyl]naphthalen-2-amine
CID 115212943

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylmethylamino)benzaldehyde?
The IUPAC name of 3-(naphthalen-2-ylmethylamino)benzaldehyde (CID 142658488) is 3-(naphthalen-2-ylmethylamino)benzaldehyde.
What is the SMILES notation for 3-(naphthalen-2-ylmethylamino)benzaldehyde?
The canonical SMILES for 3-(naphthalen-2-ylmethylamino)benzaldehyde is O=Cc1cccc(NCc2ccc3ccccc3c2)c1.
What is the InChIKey of 3-(naphthalen-2-ylmethylamino)benzaldehyde?
The InChIKey is DXRZXGDPMPMPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c20-13-15-4-3-7-18(11-15)19-12-14-8-9-16-5-1-2-6-17(16)10-14/h1-11,13,19H,12H2.
What are the key properties of 3-(naphthalen-2-ylmethylamino)benzaldehyde?
3-(naphthalen-2-ylmethylamino)benzaldehyde has a molecular weight of 261.32 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylmethylamino)benzaldehyde is sourced from PubChem (CID 142658488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).