N-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine

C14H16IN — CID 167019947

IUPACN-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine
SMILESCC(C)c1ccc(N(C)I)c2ccccc12
InChIInChI=1S/C14H16IN/c1-10(2)11-8-9-14(16(3)15)13-7-5-4-6-12(11)13/h4-10H,1-3H3
InChIKeyBCQLPXATGJUYHV-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.75
Rot. Bonds2

About N-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine

N-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine (PubChem CID 167019947) has the molecular formula C14H16IN and a molecular weight of 325.19 g/mol. Its IUPAC name is N-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine
PubChem CID167019947
Molecular FormulaC14H16IN
Molecular Weight325.19 g/mol
Exact Mass325.03
IUPAC NameN-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine
SMILESCC(C)c1ccc(N(C)I)c2ccccc12
InChIInChI=1S/C14H16IN/c1-10(2)11-8-9-14(16(3)15)13-7-5-4-6-12(11)13/h4-10H,1-3H3
InChIKeyBCQLPXATGJUYHV-UHFFFAOYSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.75
H-Bond Donors ≤ 50
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

2-[[aminomethyl-(4-propan-2-ylnaphthalen-1-yl)amino]methylsulfanyl]propanal
CID 143955169
6-N,25-N-diphenyl-6-N,25-N-bis(4-propan-2-ylnaphthalen-1-yl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155361636
1-(3-methylbut-1-ynyl)-4-propan-2-ylnaphthalene
CID 140657061
3-propan-2-ylfluoranthene
CID 20607613
1-propan-2-ylphenanthrene
CID 12628671
3-amino-3-[4-(dimethylamino)naphthalen-1-yl]propan-1-ol
CID 170874748
[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol
CID 44580866
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene
CID 157266491
N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 137416612
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
butane;1-propan-2-ylnaphthalene
CID 157253186

Frequently Asked Questions

What is the IUPAC name of N-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine?
The IUPAC name of N-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine (CID 167019947) is N-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine.
What is the SMILES notation for N-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine?
The canonical SMILES for N-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine is CC(C)c1ccc(N(C)I)c2ccccc12.
What is the InChIKey of N-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine?
The InChIKey is BCQLPXATGJUYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16IN/c1-10(2)11-8-9-14(16(3)15)13-7-5-4-6-12(11)13/h4-10H,1-3H3.
What are the key properties of N-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine?
N-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine has a molecular weight of 325.19 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-methyl-4-propan-2-ylnaphthalen-1-amine is sourced from PubChem (CID 167019947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).