N-[(4-iodophenyl)methyl]-5-methylhexan-2-amine

C14H22IN — CID 65479220

IUPACN-[(4-iodophenyl)methyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCc1ccc(I)cc1
InChIInChI=1S/C14H22IN/c1-11(2)4-5-12(3)16-10-13-6-8-14(15)9-7-13/h6-9,11-12,16H,4-5,10H2,1-3H3
InChIKeyLRVOOXCNMAOQLU-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.21
Rot. Bonds6

About N-[(4-iodophenyl)methyl]-5-methylhexan-2-amine

N-[(4-iodophenyl)methyl]-5-methylhexan-2-amine (PubChem CID 65479220) has the molecular formula C14H22IN and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[(4-iodophenyl)methyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(4-iodophenyl)methyl]-5-methylhexan-2-amine
PubChem CID65479220
Molecular FormulaC14H22IN
Molecular Weight331.24 g/mol
Exact Mass331.08
IUPAC NameN-[(4-iodophenyl)methyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)NCc1ccc(I)cc1
InChIInChI=1S/C14H22IN/c1-11(2)4-5-12(3)16-10-13-6-8-14(15)9-7-13/h6-9,11-12,16H,4-5,10H2,1-3H3
InChIKeyLRVOOXCNMAOQLU-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.21
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

4-chloro-N-[(4-iodophenyl)methyl]butan-2-amine
CID 83186910
N-benzyl-5-methylhexan-2-amine
CID 43177530
N-[(4-iodophenyl)methyl]propan-2-amine
CID 65499360
2-[4-[(5-methylhexan-2-ylamino)methyl]phenyl]acetic acid
CID 103252197
N-(furan-3-ylmethyl)-5-methylhexan-2-amine
CID 62997685
N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine
CID 18807565
N-[(3-fluoro-4-methylphenyl)methyl]-5-methylhexan-2-amine
CID 63644837
N-[(3-chloro-4-fluorophenyl)methyl]-5-methylhexan-2-amine
CID 63478376
1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43765203
(1R)-1-(4-iodophenyl)-4-methylpentan-1-amine
CID 171202898
N-[[4-(chloromethyl)phenyl]methyl]pentan-2-amine
CID 107887675
5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine
CID 62096489

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methyl]-5-methylhexan-2-amine?
The IUPAC name of N-[(4-iodophenyl)methyl]-5-methylhexan-2-amine (CID 65479220) is N-[(4-iodophenyl)methyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[(4-iodophenyl)methyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[(4-iodophenyl)methyl]-5-methylhexan-2-amine is CC(C)CCC(C)NCc1ccc(I)cc1.
What is the InChIKey of N-[(4-iodophenyl)methyl]-5-methylhexan-2-amine?
The InChIKey is LRVOOXCNMAOQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN/c1-11(2)4-5-12(3)16-10-13-6-8-14(15)9-7-13/h6-9,11-12,16H,4-5,10H2,1-3H3.
What are the key properties of N-[(4-iodophenyl)methyl]-5-methylhexan-2-amine?
N-[(4-iodophenyl)methyl]-5-methylhexan-2-amine has a molecular weight of 331.24 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methyl]-5-methylhexan-2-amine is sourced from PubChem (CID 65479220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).