(1S)-N-iodo-1-phenylpropan-1-amine

C9H12IN — CID 87207146

IUPAC(1S)-N-iodo-1-phenylpropan-1-amine
SMILESCC[C@H](NI)c1ccccc1
InChIInChI=1S/C9H12IN/c1-2-9(11-10)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3/t9-/m0/s1
InChIKeySBLSVDAHKIWVPH-VIFPVBQESA-N
MW261.11 g/mol
LogP3.08
Rot. Bonds3

About (1S)-N-iodo-1-phenylpropan-1-amine

(1S)-N-iodo-1-phenylpropan-1-amine (PubChem CID 87207146) has the molecular formula C9H12IN and a molecular weight of 261.11 g/mol. Its IUPAC name is (1S)-N-iodo-1-phenylpropan-1-amine.

Molecular Properties

Compound Name(1S)-N-iodo-1-phenylpropan-1-amine
PubChem CID87207146
Molecular FormulaC9H12IN
Molecular Weight261.11 g/mol
Exact Mass261.00
IUPAC Name(1S)-N-iodo-1-phenylpropan-1-amine
SMILESCC[C@H](NI)c1ccccc1
InChIInChI=1S/C9H12IN/c1-2-9(11-10)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3/t9-/m0/s1
InChIKeySBLSVDAHKIWVPH-VIFPVBQESA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
(2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine
CID 29012459
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
1-phenyl-2-(1-phenylpropylamino)propan-1-ol
CID 12999293
(1R)-N-(2,2-dimethoxyethyl)-1-phenylpropan-1-amine
CID 93314160
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916
1-(1-phenylpropylamino)butan-2-ol
CID 62305218
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
2-methyl-1-[[(1R)-1-phenylpropyl]amino]propan-2-ol
CID 94396195
4-(1-phenylpropylamino)phenol
CID 43742837

Frequently Asked Questions

What is the IUPAC name of (1S)-N-iodo-1-phenylpropan-1-amine?
The IUPAC name of (1S)-N-iodo-1-phenylpropan-1-amine (CID 87207146) is (1S)-N-iodo-1-phenylpropan-1-amine.
What is the SMILES notation for (1S)-N-iodo-1-phenylpropan-1-amine?
The canonical SMILES for (1S)-N-iodo-1-phenylpropan-1-amine is CC[C@H](NI)c1ccccc1.
What is the InChIKey of (1S)-N-iodo-1-phenylpropan-1-amine?
The InChIKey is SBLSVDAHKIWVPH-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12IN/c1-2-9(11-10)8-6-4-3-5-7-8/h3-7,9,11H,2H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-N-iodo-1-phenylpropan-1-amine?
(1S)-N-iodo-1-phenylpropan-1-amine has a molecular weight of 261.11 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-iodo-1-phenylpropan-1-amine is sourced from PubChem (CID 87207146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).