(1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine

C17H21IN2 — CID 97322649

IUPAC(1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine
SMILESCC(C)[C@@H](N[C@@H](C)c1ccc(I)cc1)c1ccccn1
InChIInChI=1S/C17H21IN2/c1-12(2)17(16-6-4-5-11-19-16)20-13(3)14-7-9-15(18)10-8-14/h4-13,17,20H,1-3H3/t13-,17+/m0/s1
InChIKeyXRGUYVBLPUTUHF-SUMWQHHRSA-N
MW380.27 g/mol
LogP4.73
Rot. Bonds5

About (1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine

(1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine (PubChem CID 97322649) has the molecular formula C17H21IN2 and a molecular weight of 380.27 g/mol. Its IUPAC name is (1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name(1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine
PubChem CID97322649
Molecular FormulaC17H21IN2
Molecular Weight380.27 g/mol
Exact Mass380.07
IUPAC Name(1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine
SMILESCC(C)[C@@H](N[C@@H](C)c1ccc(I)cc1)c1ccccn1
InChIInChI=1S/C17H21IN2/c1-12(2)17(16-6-4-5-11-19-16)20-13(3)14-7-9-15(18)10-8-14/h4-13,17,20H,1-3H3/t13-,17+/m0/s1
InChIKeyXRGUYVBLPUTUHF-SUMWQHHRSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 81402344
1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79040984
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
(1S)-1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)ethanamine
CID 81405517
1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81392625
1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202622
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81345023
1-[4-(difluoromethoxy)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79037238
2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 43685407
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine?
The IUPAC name of (1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine (CID 97322649) is (1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for (1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine?
The canonical SMILES for (1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine is CC(C)[C@@H](N[C@@H](C)c1ccc(I)cc1)c1ccccn1.
What is the InChIKey of (1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine?
The InChIKey is XRGUYVBLPUTUHF-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H21IN2/c1-12(2)17(16-6-4-5-11-19-16)20-13(3)14-7-9-15(18)10-8-14/h4-13,17,20H,1-3H3/t13-,17+/m0/s1.
What are the key properties of (1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine?
(1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine has a molecular weight of 380.27 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1S)-1-(4-iodophenyl)ethyl]-2-methyl-1-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 97322649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).