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

C11H16ClN3 — CID 139746204

IUPAC1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN3/c1-8(15(2)11(13)14)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H3,13,14)
InChIKeyNGSVSXVYIAOQNV-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.10
Rot. Bonds3

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

1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine (PubChem CID 139746204) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine
PubChem CID139746204
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN3/c1-8(15(2)11(13)14)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H3,13,14)
InChIKeyNGSVSXVYIAOQNV-UHFFFAOYSA-N
XLogP2.10
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.10
H-Bond Donors ≤ 52
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

(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
3-amino-N-[1-(4-chlorophenyl)propan-2-yl]-N,2-dimethylbutanamide
CID 120501197
1-carbamimidoyl-1-[(4-chlorophenyl)methyl]guanidine
CID 24839284
1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride
CID 24839279
1-carbamimidoyl-2-(4-chlorophenyl)-1-propan-2-ylguanidine
CID 71366976
N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 56793619
1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride
CID 24839273
1-methyl-1-(1-phenoxypropan-2-yl)guanidine
CID 139746217
1-(4-chlorophenyl)propan-2-amine
CID 3127
N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide
CID 56793654
3-[(4-chlorophenyl)methyl-propan-2-ylamino]propanimidamide
CID 54996572
1-[1-(4-chlorophenyl)propan-2-yl]-2-(1,2-dihydroacenaphthylen-5-yl)-1-methylguanidine
CID 22675796

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine?
The IUPAC name of 1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine (CID 139746204) is 1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine?
The canonical SMILES for 1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine is [H]/N=C(\N)N(C)C(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine?
The InChIKey is NGSVSXVYIAOQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-8(15(2)11(13)14)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H3,13,14).
What are the key properties of 1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine?
1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine has a molecular weight of 225.72 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine is sourced from PubChem (CID 139746204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).