(2S)-2-(methylamino)-2-naphthalen-1-ylpropanal

C14H15NO — CID 88510080

IUPAC(2S)-2-(methylamino)-2-naphthalen-1-ylpropanal
SMILESCN[C@](C)(C=O)c1cccc2ccccc12
InChIInChI=1S/C14H15NO/c1-14(10-16,15-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,15H,1-2H3/t14-/m1/s1
InChIKeyLCQASUKCUCKKLQ-CQSZACIVSA-N
MW213.28 g/mol
LogP2.47
Rot. Bonds3

About (2S)-2-(methylamino)-2-naphthalen-1-ylpropanal

(2S)-2-(methylamino)-2-naphthalen-1-ylpropanal (PubChem CID 88510080) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-2-(methylamino)-2-naphthalen-1-ylpropanal.

Molecular Properties

Compound Name(2S)-2-(methylamino)-2-naphthalen-1-ylpropanal
PubChem CID88510080
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(2S)-2-(methylamino)-2-naphthalen-1-ylpropanal
SMILESCN[C@](C)(C=O)c1cccc2ccccc12
InChIInChI=1S/C14H15NO/c1-14(10-16,15-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,15H,1-2H3/t14-/m1/s1
InChIKeyLCQASUKCUCKKLQ-CQSZACIVSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.47
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

(2S)-2-amino-2-naphthalen-1-ylpropanal
CID 87513009
(2R)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 67197757
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanoic acid
CID 66760761
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine
CID 80604679
N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide
CID 115166889
1-(methylamino)-2-naphthalen-1-ylpropan-2-ol
CID 62774360
N,4-dimethyl-4-naphthalen-1-ylpentan-2-amine
CID 64718281
2,2-dinaphthalen-1-yl-3-oxobutanedial
CID 140640259
methyl 3-amino-3-naphthalen-1-ylbutanoate
CID 79849227
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
3-methyl-3-naphthalen-1-ylbutanoic acid
CID 79020311

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-2-naphthalen-1-ylpropanal?
The IUPAC name of (2S)-2-(methylamino)-2-naphthalen-1-ylpropanal (CID 88510080) is (2S)-2-(methylamino)-2-naphthalen-1-ylpropanal.
What is the SMILES notation for (2S)-2-(methylamino)-2-naphthalen-1-ylpropanal?
The canonical SMILES for (2S)-2-(methylamino)-2-naphthalen-1-ylpropanal is CN[C@](C)(C=O)c1cccc2ccccc12.
What is the InChIKey of (2S)-2-(methylamino)-2-naphthalen-1-ylpropanal?
The InChIKey is LCQASUKCUCKKLQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15NO/c1-14(10-16,15-2)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,15H,1-2H3/t14-/m1/s1.
What are the key properties of (2S)-2-(methylamino)-2-naphthalen-1-ylpropanal?
(2S)-2-(methylamino)-2-naphthalen-1-ylpropanal has a molecular weight of 213.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-2-naphthalen-1-ylpropanal is sourced from PubChem (CID 88510080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).