1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine

C18H29ClIN — CID 103214904

IUPAC1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)c1ccc(I)c(Cl)c1
InChIInChI=1S/C18H29ClIN/c1-3-5-6-7-8-9-10-18(21-13-4-2)15-11-12-17(20)16(19)14-15/h11-12,14,18,21H,3-10,13H2,1-2H3
InChIKeyNPLMQNDKNRFRBM-UHFFFAOYSA-N
MW421.79 g/mol
LogP6.74
Rot. Bonds11

About 1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine

1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine (PubChem CID 103214904) has the molecular formula C18H29ClIN and a molecular weight of 421.79 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine
PubChem CID103214904
Molecular FormulaC18H29ClIN
Molecular Weight421.79 g/mol
Exact Mass421.10
IUPAC Name1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)c1ccc(I)c(Cl)c1
InChIInChI=1S/C18H29ClIN/c1-3-5-6-7-8-9-10-18(21-13-4-2)15-11-12-17(20)16(19)14-15/h11-12,14,18,21H,3-10,13H2,1-2H3
InChIKeyNPLMQNDKNRFRBM-UHFFFAOYSA-N
XLogP6.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.79
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-iodophenyl)-N-ethyldecan-1-amine
CID 103214873
1-(3-chloro-4-iodophenyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 103214795
1-(3-chloro-4-iodophenyl)-N-propylpropan-1-amine
CID 103214498
1-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
1-(3-chloro-4-iodophenyl)decan-1-amine
CID 103214875
1-(3-chloro-4-iodophenyl)octan-1-amine
CID 103214882
1-(3-chlorophenyl)-N-propylheptan-1-amine
CID 63412076
N-[1-(3-chloro-4-iodophenyl)-2-phenylethyl]propan-1-amine
CID 103214524
1-(3-chloro-4-iodophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 103215285
1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine
CID 115567747
1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine
CID 63414063

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine (CID 103214904) is 1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine is CCCCCCCCC(NCCC)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine?
The InChIKey is NPLMQNDKNRFRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClIN/c1-3-5-6-7-8-9-10-18(21-13-4-2)15-11-12-17(20)16(19)14-15/h11-12,14,18,21H,3-10,13H2,1-2H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine?
1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine has a molecular weight of 421.79 g/mol, XLogP of 6.74, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-N-propylnonan-1-amine is sourced from PubChem (CID 103214904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).