1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine

C23H24ClN3 — CID 22675796

IUPAC1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine
SMILESCC(Cc1ccc(Cl)cc1)N(C)/C(N)=N/c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H24ClN3/c1-15(14-16-6-11-19(24)12-7-16)27(2)23(25)26-21-13-10-18-9-8-17-4-3-5-20(21)22(17)18/h3-7,10-13,15H,8-9,14H2,1-2H3,(H2,25,26)
InChIKeySPGLSMZYRVIMAC-UHFFFAOYSA-N
MW377.92 g/mol
LogP5.10
Rot. Bonds4

About 1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine

1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine (PubChem CID 22675796) has the molecular formula C23H24ClN3 and a molecular weight of 377.92 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine
PubChem CID22675796
Molecular FormulaC23H24ClN3
Molecular Weight377.92 g/mol
Exact Mass377.17
IUPAC Name1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine
SMILESCC(Cc1ccc(Cl)cc1)N(C)/C(N)=N/c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H24ClN3/c1-15(14-16-6-11-19(24)12-7-16)27(2)23(25)26-21-13-10-18-9-8-17-4-3-5-20(21)22(17)18/h3-7,10-13,15H,8-9,14H2,1-2H3,(H2,25,26)
InChIKeySPGLSMZYRVIMAC-UHFFFAOYSA-N
XLogP5.10
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine
CID 18751924
2-chloro-N'-(1,2-dihydroacenaphthylen-5-yl)ethanimidamide
CID 169369135
1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine
CID 139746204
1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-1-(2-phenylpropyl)guanidine
CID 154448669
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
1-acenaphthylen-5-yl-2-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine
CID 69268814
3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide
CID 120501197
1-(4-chlorophenyl)propan-2-amine
CID 3127
N-[(2S)-1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-(4-oxocyclohexyl)acetamide
CID 99793411
1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine
CID 114939245
N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 56793619
(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine?
The IUPAC name of 1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine (CID 22675796) is 1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine?
The canonical SMILES for 1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine is CC(Cc1ccc(Cl)cc1)N(C)/C(N)=N/c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine?
The InChIKey is SPGLSMZYRVIMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3/c1-15(14-16-6-11-19(24)12-7-16)27(2)23(25)26-21-13-10-18-9-8-17-4-3-5-20(21)22(17)18/h3-7,10-13,15H,8-9,14H2,1-2H3,(H2,25,26).
What are the key properties of 1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine?
1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine has a molecular weight of 377.92 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine is sourced from PubChem (CID 22675796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).