N-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine

C20H18N2 — CID 59307757

IUPACN-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine
SMILES[C-]#[N+]c1ccc(N(c2cccc3ccccc23)C(C)C)cc1
InChIInChI=1S/C20H18N2/c1-15(2)22(18-13-11-17(21-3)12-14-18)20-10-6-8-16-7-4-5-9-19(16)20/h4-15H,1-2H3
InChIKeyDNAPCDDDTRHEAD-UHFFFAOYSA-N
MW286.38 g/mol
LogP5.94
Rot. Bonds3

About N-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine

N-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine (PubChem CID 59307757) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine
PubChem CID59307757
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC NameN-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine
SMILES[C-]#[N+]c1ccc(N(c2cccc3ccccc23)C(C)C)cc1
InChIInChI=1S/C20H18N2/c1-15(2)22(18-13-11-17(21-3)12-14-18)20-10-6-8-16-7-4-5-9-19(16)20/h4-15H,1-2H3
InChIKeyDNAPCDDDTRHEAD-UHFFFAOYSA-N
XLogP5.94
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.38
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

17-isocyano-4-[naphthalen-1-yl(propan-2-yl)amino]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-8,14-dione
CID 164984799
1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 118686066
3,5-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-propan-2-ylaniline
CID 59308386
N-[4-[4-(N-naphthalen-1-yl-4-propan-2-ylanilino)phenyl]phenyl]-N-(4-propan-2-ylphenyl)naphthalen-1-amine
CID 66791153
(2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide
CID 95625088
N-methyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 70877197
4-N-(1-aminopentyl)-1-N-naphthalen-1-yl-1-N,4-N-diphenylbenzene-1,4-diamine
CID 66900407
8-(N-propan-2-ylanilino)naphthalene-1-sulfonic acid
CID 89289102
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N-(4-isocyanophenyl)-N-naphthalen-1-yl-6-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazol-3-amine
CID 123647373
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
(2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide
CID 2529538

Frequently Asked Questions

What is the IUPAC name of N-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine?
The IUPAC name of N-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine (CID 59307757) is N-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine.
What is the SMILES notation for N-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine?
The canonical SMILES for N-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine is [C-]#[N+]c1ccc(N(c2cccc3ccccc23)C(C)C)cc1.
What is the InChIKey of N-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine?
The InChIKey is DNAPCDDDTRHEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c1-15(2)22(18-13-11-17(21-3)12-14-18)20-10-6-8-16-7-4-5-9-19(16)20/h4-15H,1-2H3.
What are the key properties of N-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine?
N-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine has a molecular weight of 286.38 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-isocyanophenyl)-N-propan-2-ylnaphthalen-1-amine is sourced from PubChem (CID 59307757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).