2-[[(1S)-1-phenylethyl]amino]acetaldehyde

C10H13NO — CID 173253392

IUPAC2-[[(1S)-1-phenylethyl]amino]acetaldehyde
SMILESC[C@H](NCC=O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-9(11-7-8-12)10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3/t9-/m0/s1
InChIKeyMUVNCARZMGNJOL-VIFPVBQESA-N
MW163.22 g/mol
LogP1.54
Rot. Bonds4

About 2-[[(1S)-1-phenylethyl]amino]acetaldehyde

2-[[(1S)-1-phenylethyl]amino]acetaldehyde (PubChem CID 173253392) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-[[(1S)-1-phenylethyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[[(1S)-1-phenylethyl]amino]acetaldehyde
PubChem CID173253392
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-[[(1S)-1-phenylethyl]amino]acetaldehyde
SMILESC[C@H](NCC=O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-9(11-7-8-12)10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3/t9-/m0/s1
InChIKeyMUVNCARZMGNJOL-VIFPVBQESA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.54
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

(Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine
CID 102078322
2-[1-[4-(4-hydroxyphenyl)phenyl]ethylamino]acetaldehyde
CID 143479390
(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
3-methyl-4-(1-phenylethylamino)butanal;propane
CID 143136526
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
ethane;[[(1R)-1-phenylethyl]amino]methanol
CID 157126803
N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 123802706
(E)-N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 73336131
N-[2-[[(1R)-1-phenylethyl]amino]ethyl]acetamide
CID 28684616
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-phenylethyl]amino]acetaldehyde?
The IUPAC name of 2-[[(1S)-1-phenylethyl]amino]acetaldehyde (CID 173253392) is 2-[[(1S)-1-phenylethyl]amino]acetaldehyde.
What is the SMILES notation for 2-[[(1S)-1-phenylethyl]amino]acetaldehyde?
The canonical SMILES for 2-[[(1S)-1-phenylethyl]amino]acetaldehyde is C[C@H](NCC=O)c1ccccc1.
What is the InChIKey of 2-[[(1S)-1-phenylethyl]amino]acetaldehyde?
The InChIKey is MUVNCARZMGNJOL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO/c1-9(11-7-8-12)10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3/t9-/m0/s1.
What are the key properties of 2-[[(1S)-1-phenylethyl]amino]acetaldehyde?
2-[[(1S)-1-phenylethyl]amino]acetaldehyde has a molecular weight of 163.22 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-phenylethyl]amino]acetaldehyde is sourced from PubChem (CID 173253392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).