4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine

C16H19IN2 — CID 65477008

IUPAC4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine
SMILESCCCN(Cc1ccc(I)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H19IN2/c1-2-11-19(16-9-7-15(18)8-10-16)12-13-3-5-14(17)6-4-13/h3-10H,2,11-12,18H2,1H3
InChIKeyJODMGRDKVXBPER-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.29
Rot. Bonds5

About 4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine

4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine (PubChem CID 65477008) has the molecular formula C16H19IN2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine
PubChem CID65477008
Molecular FormulaC16H19IN2
Molecular Weight366.25 g/mol
Exact Mass366.06
IUPAC Name4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine
SMILESCCCN(Cc1ccc(I)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H19IN2/c1-2-11-19(16-9-7-15(18)8-10-16)12-13-3-5-14(17)6-4-13/h3-10H,2,11-12,18H2,1H3
InChIKeyJODMGRDKVXBPER-UHFFFAOYSA-N
XLogP4.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-N-ethyl-4-N-[(4-iodophenyl)methyl]benzene-1,4-diamine
CID 65476799
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779
4-N-[(3,5-difluorophenyl)methyl]-4-N-propylbenzene-1,4-diamine
CID 105404060
4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-propylbenzene-1,4-diamine
CID 107882086
4-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-N-propylbenzene-1,4-diamine
CID 63234119
aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
N-hexyl-4-iodo-N-[(4-methoxyphenyl)methyl]aniline
CID 138518673
4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline
CID 154621185
N-benzyl-N-propylaniline
CID 14671265
4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
4-N-nonyl-4-N-propylbenzene-1,4-diamine
CID 63532780
4-[[N-[(4-aminophenyl)methyl]anilino]methyl]aniline;ethane
CID 90899245

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine?
The IUPAC name of 4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine (CID 65477008) is 4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine is CCCN(Cc1ccc(I)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine?
The InChIKey is JODMGRDKVXBPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2/c1-2-11-19(16-9-7-15(18)8-10-16)12-13-3-5-14(17)6-4-13/h3-10H,2,11-12,18H2,1H3.
What are the key properties of 4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine?
4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine has a molecular weight of 366.25 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-iodophenyl)methyl]-4-N-propylbenzene-1,4-diamine is sourced from PubChem (CID 65477008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).