(1R)-1-(4-iodophenyl)-4-methylpentan-1-amine

C12H18IN — CID 171202898

IUPAC(1R)-1-(4-iodophenyl)-4-methylpentan-1-amine
SMILESCC(C)CC[C@@H](N)c1ccc(I)cc1
InChIInChI=1S/C12H18IN/c1-9(2)3-8-12(14)10-4-6-11(13)7-5-10/h4-7,9,12H,3,8,14H2,1-2H3/t12-/m1/s1
InChIKeyHPSVAZVHNQKOBU-GFCCVEGCSA-N
MW303.19 g/mol
LogP3.73
Rot. Bonds4

About (1R)-1-(4-iodophenyl)-4-methylpentan-1-amine

(1R)-1-(4-iodophenyl)-4-methylpentan-1-amine (PubChem CID 171202898) has the molecular formula C12H18IN and a molecular weight of 303.19 g/mol. Its IUPAC name is (1R)-1-(4-iodophenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-iodophenyl)-4-methylpentan-1-amine
PubChem CID171202898
Molecular FormulaC12H18IN
Molecular Weight303.19 g/mol
Exact Mass303.05
IUPAC Name(1R)-1-(4-iodophenyl)-4-methylpentan-1-amine
SMILESCC(C)CC[C@@H](N)c1ccc(I)cc1
InChIInChI=1S/C12H18IN/c1-9(2)3-8-12(14)10-4-6-11(13)7-5-10/h4-7,9,12H,3,8,14H2,1-2H3/t12-/m1/s1
InChIKeyHPSVAZVHNQKOBU-GFCCVEGCSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
4-[(1S)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171217740
(1R,2S)-1-amino-1-(4-iodophenyl)-5-methylhexan-2-ol
CID 171261951
1-(4-iodophenyl)-4,4-dimethylpentan-1-amine
CID 112630998
(1S)-1-(3-iodophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171230181
1-(4-iodophenyl)heptan-1-amine
CID 115833109
(1R)-4-methyl-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171200288
(1S)-1-(4-iodophenyl)butane-1,4-diamine;hydrochloride
CID 171222428
(1R)-1-(4-iodophenyl)ethanamine
CID 15930770
1-(4-iodophenyl)-N,4-dimethylpentan-1-amine
CID 115834286
(1R)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentan-1-amine
CID 171207274
(1R)-1-(4-iodophenyl)ethane-1,2-diamine;hydrochloride
CID 171222425

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-iodophenyl)-4-methylpentan-1-amine?
The IUPAC name of (1R)-1-(4-iodophenyl)-4-methylpentan-1-amine (CID 171202898) is (1R)-1-(4-iodophenyl)-4-methylpentan-1-amine.
What is the SMILES notation for (1R)-1-(4-iodophenyl)-4-methylpentan-1-amine?
The canonical SMILES for (1R)-1-(4-iodophenyl)-4-methylpentan-1-amine is CC(C)CC[C@@H](N)c1ccc(I)cc1.
What is the InChIKey of (1R)-1-(4-iodophenyl)-4-methylpentan-1-amine?
The InChIKey is HPSVAZVHNQKOBU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18IN/c1-9(2)3-8-12(14)10-4-6-11(13)7-5-10/h4-7,9,12H,3,8,14H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-(4-iodophenyl)-4-methylpentan-1-amine?
(1R)-1-(4-iodophenyl)-4-methylpentan-1-amine has a molecular weight of 303.19 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-iodophenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 171202898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).